<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.3.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">27Jun22 (build Feb 11 2023 09:31:23) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-12-21T05:33:30.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="0.0026716"
                        xFract="0.00031654"
                        y3="4.17740822"
                        yFract="0.49495358"
                        z3="9.60217591"
                        zFract="0.43214113"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="8.42905281"
                        xFract="0.99870294"
                        y3="6.25402751"
                        yFract="0.74099852"
                        z3="8.42709809"
                        zFract="0.37925734"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.32723387"
                        xFract="0.74967226"
                        y3="0.01148194"
                        yFract="0.00136042"
                        z3="4.23315553"
                        zFract="0.19051105"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="8.42830292"
                        xFract="0.99861409"
                        y3="2.16466478"
                        yFract="0.25647687"
                        z3="8.45206849"
                        zFract="0.38038112"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.33787216"
                        xFract="0.75093272"
                        y3="6.32841294"
                        yFract="0.74981196"
                        z3="6.33310129"
                        zFract="0.28501806"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.20653913"
                        xFract="0.49840511"
                        y3="6.33818452"
                        yFract="0.75096973"
                        z3="4.20722724"
                        zFract="0.18934416"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="8.42453573"
                        xFract="0.99816774"
                        y3="0.01145198"
                        yFract="0.00135687"
                        z3="6.32675482"
                        zFract="0.28473244"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="8.42348132"
                        xFract="0.99804281"
                        y3="2.09941658"
                        yFract="0.24874604"
                        z3="4.21409633"
                        zFract="0.1896533"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.09769634"
                        xFract="0.24854222"
                        y3="4.19115166"
                        yFract="0.49658195"
                        z3="8.43106925"
                        zFract="0.37943606"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.11013664"
                        xFract="0.25001619"
                        y3="4.20760113"
                        yFract="0.49853094"
                        z3="4.24985075"
                        zFract="0.19126241"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.09187924"
                        xFract="0.24785299"
                        y3="6.33803792"
                        yFract="0.75095236"
                        z3="6.33914536"
                        zFract="0.28529007"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.09713913"
                        xFract="0.2484762"
                        y3="0.00476506"
                        yFract="0.00056458"
                        z3="4.21015294"
                        zFract="0.18947583"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="4.24539098"
                        xFract="0.50300841"
                        y3="0.0417423"
                        yFract="0.00494577"
                        z3="6.30637063"
                        zFract="0.28381506"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3465754"
                        xFract="0.75196391"
                        y3="2.1211186"
                        yFract="0.25131737"
                        z3="6.38873417"
                        zFract="0.28752179"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.3455626"
                        xFract="0.75184391"
                        y3="4.19487277"
                        yFract="0.49702284"
                        z3="8.69634828"
                        zFract="0.39137481"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.24870174"
                        xFract="0.50340068"
                        y3="2.11611621"
                        yFract="0.25072467"
                        z3="8.59442069"
                        zFract="0.38678761"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="8.42445124"
                        xFract="0.99815773"
                        y3="6.2977251"
                        yFract="0.74617596"
                        z3="4.2382088"
                        zFract="0.19073847"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="8.42541146"
                        xFract="0.9982715"
                        y3="4.19095568"
                        yFract="0.49655873"
                        z3="6.41052977"
                        zFract="0.28850269"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.21620934"
                        xFract="0.49955087"
                        y3="2.11623421"
                        yFract="0.25073865"
                        z3="4.17312109"
                        zFract="0.18780923"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.12370107"
                        xFract="0.25162335"
                        y3="2.11639541"
                        yFract="0.25075775"
                        z3="6.35844454"
                        zFract="0.28615862"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="6.34970748"
                        xFract="0.75233501"
                        y3="4.19712912"
                        yFract="0.49729018"
                        z3="4.2445615"
                        zFract="0.19102437"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.2389927"
                        xFract="0.50225032"
                        y3="6.32625973"
                        yFract="0.74955684"
                        z3="8.4697796"
                        zFract="0.3811782"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="4.28184663"
                        xFract="0.5073278"
                        y3="4.17068094"
                        yFract="0.49415651"
                        z3="6.41055355"
                        zFract="0.28850376"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.10501382"
                        xFract="0.24940922"
                        y3="0.01911432"
                        yFract="0.00226473"
                        z3="8.40945608"
                        zFract="0.37846337"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.33932628"
                        xFract="0.75110501"
                        y3="0.0354177"
                        yFract="0.00419641"
                        z3="8.47118769"
                        zFract="0.38124157"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a43"
                        x3="8.30737781"
                        xFract="0.98428647"
                        y3="1.93460507"
                        yFract="0.22921861"
                        z3="6.28965542"
                        zFract="0.2830628"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.15674908"
                        xFract="0.25553899"
                        y3="8.41799346"
                        yFract="0.99739259"
                        z3="6.28446927"
                        zFract="0.2828294"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.43753088"
                        xFract="0.99970745"
                        y3="0.01177177"
                        yFract="0.00139476"
                        z3="4.2758677"
                        zFract="0.19243329"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.41518015"
                        xFract="0.99705926"
                        y3="0.06135424"
                        yFract="0.00726946"
                        z3="8.32596843"
                        zFract="0.37470605"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.10533023"
                        xFract="0.24944671"
                        y3="2.1073576"
                        yFract="0.24968692"
                        z3="4.26970165"
                        zFract="0.19215579"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.0009568"
                        xFract="0.23708019"
                        y3="2.11271971"
                        yFract="0.25032224"
                        z3="8.45443625"
                        zFract="0.38048768"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.3819652"
                        xFract="0.51919019"
                        y3="2.10301733"
                        yFract="0.24917267"
                        z3="6.18697991"
                        zFract="0.27844194"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.31354335"
                        xFract="0.74805016"
                        y3="8.3055378"
                        yFract="0.98406846"
                        z3="6.2848179"
                        zFract="0.28284509"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.20987268"
                        xFract="0.49880008"
                        y3="8.3068509"
                        yFract="0.98422404"
                        z3="4.19122884"
                        zFract="0.18862416"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.25302555"
                        xFract="0.50391298"
                        y3="0.01137847"
                        yFract="0.00134816"
                        z3="8.45360789"
                        zFract="0.3804504"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.32545152"
                        xFract="0.74946108"
                        y3="2.06945002"
                        yFract="0.2451955"
                        z3="4.08413932"
                        zFract="0.18380465"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.44451552"
                        xFract="0.76356819"
                        y3="2.13171393"
                        yFract="0.25257274"
                        z3="8.58249766"
                        zFract="0.38625102"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="8.41804874"
                        xFract="0.99739914"
                        y3="6.50809497"
                        yFract="0.7711013"
                        z3="6.33643185"
                        zFract="0.28516795"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.06087312"
                        xFract="0.24417928"
                        y3="4.25785441"
                        yFract="0.50448512"
                        z3="6.35997549"
                        zFract="0.28622752"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.02974416"
                        xFract="0.00352419"
                        y3="4.17470294"
                        yFract="0.49463305"
                        z3="4.17063778"
                        zFract="0.18769747"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.0026716"
                        xFract="0.00031654"
                        y3="4.17740822"
                        yFract="0.49495358"
                        z3="8.60227591"
                        zFract="0.38714113"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.20403131"
                        xFract="0.26114115"
                        y3="6.32852958"
                        yFract="0.74982578"
                        z3="4.25811659"
                        zFract="0.19163441"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.07434978"
                        xFract="0.24577604"
                        y3="6.32563939"
                        yFract="0.74948334"
                        z3="8.44643527"
                        zFract="0.3801276"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.23613677"
                        xFract="0.50191194"
                        y3="6.34975804"
                        yFract="0.752341"
                        z3="6.25476802"
                        zFract="0.28149271"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.39808109"
                        xFract="0.75806648"
                        y3="4.35169059"
                        yFract="0.51560315"
                        z3="6.27631764"
                        zFract="0.28246254"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.19899276"
                        xFract="0.49751099"
                        y3="4.37861891"
                        yFract="0.51879371"
                        z3="4.2460278"
                        zFract="0.19109036"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.21299834"
                        xFract="0.49917042"
                        y3="4.21273991"
                        yFract="0.4991398"
                        z3="8.53530305"
                        zFract="0.38412705"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.19479306"
                        xFract="0.73398022"
                        y3="6.36732869"
                        yFract="0.75442283"
                        z3="4.21071466"
                        zFract="0.18950111"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.38378635"
                        xFract="0.75637279"
                        y3="6.31251089"
                        yFract="0.74792783"
                        z3="8.42411684"
                        zFract="0.37912317"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a68" order="S"/>
                  <bond atomRefs2="a2 a81" order="S"/>
                  <bond atomRefs2="a2 a63" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a3 a59" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a59" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a47" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a48" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a7 a81" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a63" order="S"/>
                  <bond atomRefs2="a7 a75" order="S"/>
                  <bond atomRefs2="a7 a80" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a9 a77" order="S"/>
                  <bond atomRefs2="a9 a73" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a80" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a11 a54" order="S"/>
                  <bond atomRefs2="a11 a56" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a47" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a33" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a66" order="S"/>
                  <bond atomRefs2="a13 a62" order="S"/>
                  <bond atomRefs2="a13 a64" order="S"/>
                  <bond atomRefs2="a13 a67" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a78" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a64" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a65" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a17 a49" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a17 a56" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a56" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a44" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a79" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a72" order="S"/>
                  <bond atomRefs2="a19 a80" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a58" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a53" order="S"/>
                  <bond atomRefs2="a23 a81" order="S"/>
                  <bond atomRefs2="a23 a61" order="S"/>
                  <bond atomRefs2="a23 a78" order="S"/>
                  <bond atomRefs2="a24 a58" order="S"/>
                  <bond atomRefs2="a24 a78" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a26 a79" order="S"/>
                  <bond atomRefs2="a26 a72" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a69" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a49" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a30 a50" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a65" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a76" order="S"/>
                  <bond atomRefs2="a33 a74" order="S"/>
                  <bond atomRefs2="a33 a80" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a66" order="S"/>
                  <bond atomRefs2="a35 a62" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a69" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a36 a78" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a37 a69" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a62" order="S"/>
                  <bond atomRefs2="a37 a72" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a38 a78" order="S"/>
                  <bond atomRefs2="a38 a77" order="S"/>
                  <bond atomRefs2="a38 a65" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a72" order="S"/>
                  <bond atomRefs2="a41 a76" order="S"/>
                  <bond atomRefs2="a41 a74" order="S"/>
                  <bond atomRefs2="a41 a77" order="S"/>
                  <bond atomRefs2="a41 a64" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="0.00267157"
                        xFract="0.00031654"
                        y3="4.17740822"
                        yFract="0.49495358"
                        z3="9.60217589"
                        zFract="0.43214113"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="8.42905278"
                        xFract="0.99870294"
                        y3="6.25402751"
                        yFract="0.74099852"
                        z3="8.42709814"
                        zFract="0.37925734"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.32723391"
                        xFract="0.74967226"
                        y3="0.01148195"
                        yFract="0.00136042"
                        z3="4.23315562"
                        zFract="0.19051105"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="8.42830294"
                        xFract="0.99861409"
                        y3="2.16466481"
                        yFract="0.25647687"
                        z3="8.45206842"
                        zFract="0.38038112"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.33787217"
                        xFract="0.75093272"
                        y3="6.32841298"
                        yFract="0.74981197"
                        z3="6.33310134"
                        zFract="0.28501806"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.20653909"
                        xFract="0.49840511"
                        y3="6.3381845"
                        yFract="0.75096973"
                        z3="4.20722719"
                        zFract="0.18934416"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="8.42453577"
                        xFract="0.99816775"
                        y3="0.01145195"
                        yFract="0.00135687"
                        z3="6.32675491"
                        zFract="0.28473244"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="8.42348129"
                        xFract="0.99804281"
                        y3="2.09941657"
                        yFract="0.24874604"
                        z3="4.21409628"
                        zFract="0.1896533"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.0976963"
                        xFract="0.24854222"
                        y3="4.19115162"
                        yFract="0.49658195"
                        z3="8.43106934"
                        zFract="0.37943606"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.11013664"
                        xFract="0.25001619"
                        y3="4.20760116"
                        yFract="0.49853094"
                        z3="4.24985073"
                        zFract="0.19126241"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.09187922"
                        xFract="0.24785299"
                        y3="6.33803788"
                        yFract="0.75095236"
                        z3="6.33914533"
                        zFract="0.28529007"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.09713909"
                        xFract="0.2484762"
                        y3="0.00476508"
                        yFract="0.00056458"
                        z3="4.21015288"
                        zFract="0.18947583"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="4.24539097"
                        xFract="0.50300841"
                        y3="0.04174232"
                        yFract="0.00494577"
                        z3="6.30637059"
                        zFract="0.28381506"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.34657538"
                        xFract="0.75196391"
                        y3="2.12111861"
                        yFract="0.25131737"
                        z3="6.38873428"
                        zFract="0.2875218"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.34556261"
                        xFract="0.75184391"
                        y3="4.19487279"
                        yFract="0.49702284"
                        z3="8.69634819"
                        zFract="0.39137481"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.24870173"
                        xFract="0.50340068"
                        y3="2.11611622"
                        yFract="0.25072467"
                        z3="8.59442072"
                        zFract="0.38678761"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="8.42445121"
                        xFract="0.99815773"
                        y3="6.29772507"
                        yFract="0.74617596"
                        z3="4.23820891"
                        zFract="0.19073847"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="8.42541143"
                        xFract="0.9982715"
                        y3="4.19095565"
                        yFract="0.49655873"
                        z3="6.41052988"
                        zFract="0.28850269"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.21620935"
                        xFract="0.49955087"
                        y3="2.1162342"
                        yFract="0.25073865"
                        z3="4.173121"
                        zFract="0.18780923"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.12370105"
                        xFract="0.25162335"
                        y3="2.1163954"
                        yFract="0.25075775"
                        z3="6.35844463"
                        zFract="0.28615862"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="6.34970749"
                        xFract="0.75233501"
                        y3="4.19712914"
                        yFract="0.49729018"
                        z3="4.24456155"
                        zFract="0.19102437"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.23899269"
                        xFract="0.50225032"
                        y3="6.32625973"
                        yFract="0.74955684"
                        z3="8.46977958"
                        zFract="0.3811782"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="4.28184667"
                        xFract="0.5073278"
                        y3="4.17068094"
                        yFract="0.49415651"
                        z3="6.41055364"
                        zFract="0.28850376"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.10501384"
                        xFract="0.24940922"
                        y3="0.01911434"
                        yFract="0.00226473"
                        z3="8.40945606"
                        zFract="0.37846337"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.33932632"
                        xFract="0.75110501"
                        y3="0.03541772"
                        yFract="0.00419641"
                        z3="8.47118769"
                        zFract="0.38124157"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a43"
                        x3="8.30737777"
                        xFract="0.98428647"
                        y3="1.93460509"
                        yFract="0.22921861"
                        z3="6.28965548"
                        zFract="0.2830628"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.15674908"
                        xFract="0.25553899"
                        y3="8.41799343"
                        yFract="0.99739259"
                        z3="6.28446925"
                        zFract="0.2828294"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.43753089"
                        xFract="0.99970745"
                        y3="0.01177179"
                        yFract="0.00139476"
                        z3="4.27586779"
                        zFract="0.19243329"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.41518013"
                        xFract="0.99705926"
                        y3="0.06135425"
                        yFract="0.00726946"
                        z3="8.32596843"
                        zFract="0.37470605"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.10533023"
                        xFract="0.24944671"
                        y3="2.1073576"
                        yFract="0.24968692"
                        z3="4.26970174"
                        zFract="0.19215579"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.00095682"
                        xFract="0.23708019"
                        y3="2.1127197"
                        yFract="0.25032224"
                        z3="8.45443634"
                        zFract="0.38048768"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.38196521"
                        xFract="0.51919019"
                        y3="2.10301735"
                        yFract="0.24917267"
                        z3="6.18697995"
                        zFract="0.27844194"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.31354337"
                        xFract="0.74805016"
                        y3="8.30553782"
                        yFract="0.98406846"
                        z3="6.28481794"
                        zFract="0.28284509"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.20987269"
                        xFract="0.49880008"
                        y3="8.30685091"
                        yFract="0.98422404"
                        z3="4.19122895"
                        zFract="0.18862417"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.25302558"
                        xFract="0.50391298"
                        y3="0.01137848"
                        yFract="0.00134816"
                        z3="8.453608"
                        zFract="0.3804504"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.32545148"
                        xFract="0.74946108"
                        y3="2.06945001"
                        yFract="0.2451955"
                        z3="4.08413939"
                        zFract="0.18380465"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.44451554"
                        xFract="0.76356819"
                        y3="2.13171393"
                        yFract="0.25257274"
                        z3="8.58249766"
                        zFract="0.38625102"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="8.41804876"
                        xFract="0.99739914"
                        y3="6.50809494"
                        yFract="0.7711013"
                        z3="6.33643194"
                        zFract="0.28516795"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.06087315"
                        xFract="0.24417928"
                        y3="4.2578544"
                        yFract="0.50448512"
                        z3="6.35997554"
                        zFract="0.28622752"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.02974416"
                        xFract="0.00352419"
                        y3="4.17470298"
                        yFract="0.49463305"
                        z3="4.17063769"
                        zFract="0.18769747"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.00267157"
                        xFract="0.00031654"
                        y3="4.17740822"
                        yFract="0.49495358"
                        z3="8.60227589"
                        zFract="0.38714113"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.20403131"
                        xFract="0.26114115"
                        y3="6.32852958"
                        yFract="0.74982578"
                        z3="4.25811659"
                        zFract="0.19163441"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.07434974"
                        xFract="0.24577604"
                        y3="6.32563939"
                        yFract="0.74948334"
                        z3="8.44643527"
                        zFract="0.3801276"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.23613677"
                        xFract="0.50191194"
                        y3="6.34975807"
                        yFract="0.752341"
                        z3="6.25476808"
                        zFract="0.28149271"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.39808105"
                        xFract="0.75806648"
                        y3="4.35169059"
                        yFract="0.51560315"
                        z3="6.27631757"
                        zFract="0.28246254"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.19899273"
                        xFract="0.49751099"
                        y3="4.37861888"
                        yFract="0.51879371"
                        z3="4.24602771"
                        zFract="0.19109036"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.21299833"
                        xFract="0.49917042"
                        y3="4.21273988"
                        yFract="0.4991398"
                        z3="8.53530314"
                        zFract="0.38412705"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.19479307"
                        xFract="0.73398022"
                        y3="6.36732872"
                        yFract="0.75442283"
                        z3="4.21071469"
                        zFract="0.18950111"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.38378635"
                        xFract="0.75637279"
                        y3="6.31251086"
                        yFract="0.74792783"
                        z3="8.42411677"
                        zFract="0.37912317"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a68" order="S"/>
                  <bond atomRefs2="a2 a81" order="S"/>
                  <bond atomRefs2="a2 a63" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a3 a59" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a59" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a47" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a48" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a7 a81" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a63" order="S"/>
                  <bond atomRefs2="a7 a75" order="S"/>
                  <bond atomRefs2="a7 a80" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a9 a77" order="S"/>
                  <bond atomRefs2="a9 a73" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a80" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a11 a54" order="S"/>
                  <bond atomRefs2="a11 a56" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a47" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a33" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a66" order="S"/>
                  <bond atomRefs2="a13 a62" order="S"/>
                  <bond atomRefs2="a13 a64" order="S"/>
                  <bond atomRefs2="a13 a67" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a78" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a64" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a65" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a17 a49" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a17 a56" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a56" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a44" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a79" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a72" order="S"/>
                  <bond atomRefs2="a19 a80" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a58" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a53" order="S"/>
                  <bond atomRefs2="a23 a81" order="S"/>
                  <bond atomRefs2="a23 a61" order="S"/>
                  <bond atomRefs2="a23 a78" order="S"/>
                  <bond atomRefs2="a24 a58" order="S"/>
                  <bond atomRefs2="a24 a78" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a26 a79" order="S"/>
                  <bond atomRefs2="a26 a72" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a69" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a49" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a30 a50" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a65" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a76" order="S"/>
                  <bond atomRefs2="a33 a74" order="S"/>
                  <bond atomRefs2="a33 a80" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a66" order="S"/>
                  <bond atomRefs2="a35 a62" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a69" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a36 a78" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a37 a69" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a62" order="S"/>
                  <bond atomRefs2="a37 a72" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a38 a78" order="S"/>
                  <bond atomRefs2="a38 a77" order="S"/>
                  <bond atomRefs2="a38 a65" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a72" order="S"/>
                  <bond atomRefs2="a41 a76" order="S"/>
                  <bond atomRefs2="a41 a74" order="S"/>
                  <bond atomRefs2="a41 a77" order="S"/>
                  <bond atomRefs2="a41 a64" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">591.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.02</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">--</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="6">PAW_PBE H 15Jun2001|PAW_PBE Ni 02Aug2007|PAW_PBE Mg 13Apr2007|PAW_PBE Cu 22Jun2005|PAW_PBE Zn 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="6">H Ni Mg Cu Zn O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="6">1.000 58.690 24.305 63.546 65.390 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="6">1.000 10.000 2.000 11.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">1 10 10 10 10 40</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-19.3079 -19.0032 -18.7009 -18.6202 -18.5215 -18.3483 -18.2909 -18.2724 -18.2063 -18.1692 -18.1219 -18.0796 -18.0282 -17.9794 -17.9754 -17.9434 -17.9185 -17.8917 -17.8650 -17.8408 -17.7944 -17.7865 -17.7685 -17.7400 -17.7207 -17.6944 -17.6575 -17.6401 -17.6298 -17.6154 -17.5631 -17.5482 -17.5123 -17.4834 -17.4657 -17.4464 -17.4030 -17.3659 -17.3297 -17.2436 -7.2034 -6.8947 -6.8578 -6.8434 -6.7886 -6.7109 -6.6814 -6.6212 -6.5532 -6.5121 -6.4932 -6.4279 -6.3905 -6.3756 -6.3410 -6.3219 -6.3004 -6.2891 -6.2754 -6.2504 -6.2207 -6.2090 -6.2050 -6.1759 -6.1557 -6.1422 -6.1271 -6.0836 -6.0698 -6.0559 -6.0477 -6.0235 -5.9945 -5.9759 -5.9618 -5.9458 -5.9125 -5.8968 -5.8869 -5.8597 -5.8504 -5.8261 -5.8128 -5.7878 -5.7675 -5.7472 -5.7238 -5.6969 -5.6795 -5.6522 -5.6451 -5.6040 -5.5658 -5.5459 -5.5270 -5.5067 -5.4759 -5.4620 -5.4078 -5.4050 -5.3626 -5.3359 -5.3156 -5.2968 -5.2475 -5.2345 -5.2047 -5.1881 -5.1648 -5.1146 -5.0914 -5.0627 -5.0349 -4.9896 -4.9624 -4.9356 -4.8979 -4.8577 -4.8397 -4.8134 -4.7779 -4.7552 -4.7219 -4.7002 -4.6808 -4.6423 -4.6268 -4.5813 -4.5628 -4.5339 -4.5126 -4.4905 -4.4559 -4.4394 -4.4106 -4.4002 -4.3425 -4.3212 -4.2999 -4.2680 -4.2516 -4.2251 -4.1820 -4.1415 -4.1110 -4.0775 -4.0436 -3.9913 -3.9646 -3.9380 -3.9088 -3.8628 -3.8450 -3.8131 -3.7920 -3.7499 -3.7376 -3.6989 -3.6574 -3.6471 -3.6277 -3.5922 -3.5791 -3.5422 -3.4934 -3.4500 -3.4157 -3.4112 -3.3811 -3.3467 -3.2955 -3.2664 -3.2466 -3.2064 -3.1675 -3.1249 -3.1163 -3.0709 -3.0576 -2.9985 -2.9780 -2.9502 -2.8949 -2.8800 -2.8659 -2.8122 -2.7906 -2.7728 -2.7254 -2.6866 -2.6600 -2.6257 -2.5752 -2.5564 -2.5208 -2.4751 -2.4457 -2.4005 -2.3485 -2.3016 -2.2240 -2.1430 -2.1335 -2.0815 -2.0469 -1.9664 -1.9126 -1.8917 -1.8615 -1.8359 -1.8167 -1.7783 -1.7524 -1.7384 -1.7021 -1.6622 -1.6527 -1.6387 -1.6069 -1.5970 -1.5726 -1.5383 -1.5256 -1.4952 -1.4808 -1.4633 -1.4540 -1.4400 -1.4130 -1.4007 -1.3909 -1.3762 -1.3631 -1.3499 -1.3425 -1.3204 -1.3047 -1.2981 -1.2816 -1.2675 -1.2597 -1.2425 -1.2247 -1.2102 -1.2022 -1.1854 -1.1735 -1.1551 -1.1402 -1.1301 -1.1168 -1.1049 -1.0925 -1.0845 -1.0609 -1.0564 -1.0339 -1.0211 -1.0160 -0.9963 -0.9858 -0.9762 -0.9546 -0.9450 -0.9239 -0.8963 -0.8787 -0.8729 -0.8455 -0.8328 -0.8103 -0.7922 -0.7631 -0.7493 -0.7179 -0.7051 -0.6826 -0.6628 -0.6456 -0.6136 -0.5797 -0.5582 -0.5173 -0.4772 -0.4269 -0.4168 -0.4014 -0.3413 -0.3312 -0.2919 -0.2567 -0.2370 -0.1854 -0.1354 -0.1136 -0.0470 0.0281 0.0755 0.1112 0.1292 0.2167 0.2549 0.3446 0.4276 0.5748 0.6484 0.6756 0.7865 0.8896 1.3218 1.9337 2.2374 3.0041 3.4699 3.6176 3.6627 3.7935 3.9093 4.3272 4.5026 4.6236 4.7070 4.7885 4.8386 4.9188 5.1387 5.1632 5.2466 5.3676 5.5295 5.5954 5.6467 5.7477 5.8094 5.8152 5.9151 5.9666 6.0556 6.1133 6.2688 6.3731 6.4743 6.5202 6.5834 6.7192 6.7839 6.8457 6.9282 6.9852 7.0490 7.1034 7.1831 7.2120 7.3199 7.3851 7.4505 7.5069 7.5337 7.6447 7.6923 7.8361 7.9081 7.9535 8.0161 -19.3080 -19.0025 -18.6978 -18.6367 -18.5004 -18.3469 -18.3146 -18.2563 -18.2202 -18.1543 -18.1253 -18.0675 -18.0248 -17.9972 -17.9770 -17.9581 -17.9184 -17.8738 -17.8492 -17.8383 -17.8234 -17.7912 -17.7646 -17.7240 -17.7169 -17.6877 -17.6667 -17.6413 -17.6332 -17.6173 -17.5598 -17.5410 -17.5173 -17.4817 -17.4724 -17.4466 -17.4170 -17.3485 -17.3278 -17.2476 -7.2104 -6.8949 -6.8349 -6.8219 -6.7893 -6.7423 -6.6566 -6.6101 -6.5619 -6.5201 -6.4962 -6.4376 -6.4012 -6.3574 -6.3503 -6.3242 -6.3110 -6.2993 -6.2773 -6.2634 -6.2283 -6.2097 -6.1877 -6.1720 -6.1654 -6.1318 -6.1160 -6.1090 -6.0910 -6.0604 -6.0406 -6.0248 -5.9909 -5.9828 -5.9603 -5.9488 -5.9322 -5.9013 -5.8830 -5.8562 -5.8408 -5.8132 -5.7896 -5.7759 -5.7522 -5.7370 -5.7116 -5.6899 -5.6802 -5.6435 -5.6303 -5.6095 -5.6007 -5.5595 -5.5144 -5.5062 -5.4794 -5.4571 -5.4250 -5.4011 -5.3797 -5.3423 -5.3214 -5.2890 -5.2689 -5.2166 -5.2061 -5.1604 -5.1287 -5.1050 -5.0999 -5.0530 -5.0466 -5.0161 -4.9668 -4.9513 -4.9132 -4.8693 -4.8515 -4.8272 -4.7834 -4.7304 -4.7148 -4.6893 -4.6574 -4.6298 -4.5998 -4.5717 -4.5575 -4.5406 -4.5100 -4.4978 -4.4572 -4.4309 -4.4060 -4.3757 -4.3559 -4.3327 -4.3150 -4.2774 -4.2416 -4.2096 -4.1940 -4.1746 -4.1055 -4.0750 -4.0290 -4.0147 -3.9852 -3.9445 -3.9061 -3.8907 -3.8583 -3.8229 -3.7945 -3.7592 -3.7468 -3.7253 -3.6654 -3.6520 -3.6187 -3.5913 -3.5359 -3.5130 -3.4648 -3.4418 -3.4188 -3.4003 -3.3444 -3.3165 -3.2940 -3.2726 -3.2461 -3.2205 -3.1712 -3.1200 -3.0998 -3.0879 -3.0364 -3.0069 -2.9853 -2.9439 -2.9132 -2.8708 -2.8538 -2.8221 -2.7932 -2.7715 -2.7365 -2.6995 -2.6672 -2.6271 -2.5790 -2.5534 -2.4921 -2.4591 -2.4309 -2.4235 -2.4001 -2.3276 -2.2611 -2.1431 -2.1257 -2.0816 -2.0403 -1.9752 -1.9217 -1.8792 -1.8506 -1.8204 -1.8071 -1.7703 -1.7500 -1.7298 -1.6951 -1.6721 -1.6541 -1.6271 -1.6210 -1.5961 -1.5827 -1.5552 -1.5142 -1.4971 -1.4842 -1.4761 -1.4534 -1.4365 -1.4223 -1.4053 -1.3924 -1.3715 -1.3636 -1.3531 -1.3352 -1.3160 -1.3070 -1.2892 -1.2821 -1.2669 -1.2523 -1.2426 -1.2225 -1.2145 -1.1892 -1.1817 -1.1747 -1.1556 -1.1441 -1.1275 -1.1155 -1.1070 -1.0795 -1.0678 -1.0583 -1.0471 -1.0395 -1.0344 -1.0181 -1.0030 -0.9903 -0.9743 -0.9547 -0.9490 -0.9190 -0.9122 -0.8945 -0.8611 -0.8418 -0.8269 -0.8162 -0.8044 -0.7668 -0.7436 -0.7240 -0.7033 -0.6953 -0.6646 -0.6354 -0.5987 -0.5942 -0.5352 -0.5169 -0.4611 -0.4231 -0.4069 -0.3960 -0.3638 -0.3429 -0.2944 -0.2645 -0.2285 -0.1873 -0.1452 -0.0896 -0.0395 0.0069 0.0588 0.1345 0.1451 0.2264 0.2432 0.3436 0.4292 0.5749 0.6449 0.6863 0.7754 0.8905 1.3288 1.8878 2.2344 3.1003 3.4063 3.6011 3.6602 3.8143 3.9962 4.3804 4.4997 4.5095 4.6398 4.7270 4.8202 4.8937 5.0612 5.1947 5.2764 5.3852 5.5781 5.6421 5.6829 5.7533 5.8135 5.8825 5.9250 6.0211 6.0982 6.1572 6.2662 6.3166 6.4724 6.5248 6.6224 6.6837 6.7288 6.8191 6.9076 6.9493 7.0011 7.0844 7.1596 7.2279 7.3027 7.4086 7.4230 7.4822 7.5786 7.6226 7.7278 7.7957 7.8340 7.9724 8.0279</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.53610 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.56334 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-19.2841 -18.8933 -18.5623 -18.5125 -18.4461 -18.2413 -18.1954 -18.1511 -18.1105 -18.0488 -18.0149 -17.9648 -17.9209 -17.8987 -17.8603 -17.8232 -17.7910 -17.7691 -17.7433 -17.7206 -17.6914 -17.6778 -17.6586 -17.6420 -17.6183 -17.5926 -17.5545 -17.5309 -17.4831 -17.4611 -17.4514 -17.4227 -17.4145 -17.3791 -17.3267 -17.3208 -17.2749 -17.2517 -17.1899 -17.0732 -7.1774 -6.8693 -6.8086 -6.7886 -6.7221 -6.6590 -6.6339 -6.5705 -6.4953 -6.4666 -6.4246 -6.3788 -6.3393 -6.3207 -6.2887 -6.2755 -6.2636 -6.2468 -6.2256 -6.2072 -6.1852 -6.1764 -6.1626 -6.1330 -6.1131 -6.0946 -6.0852 -6.0443 -6.0265 -6.0154 -5.9997 -5.9821 -5.9493 -5.9362 -5.9212 -5.9067 -5.8715 -5.8525 -5.8413 -5.8144 -5.7991 -5.7904 -5.7731 -5.7561 -5.7188 -5.6945 -5.6812 -5.6492 -5.6282 -5.5976 -5.5859 -5.5466 -5.5179 -5.4946 -5.4725 -5.4234 -5.4103 -5.3843 -5.3498 -5.3413 -5.2759 -5.2594 -5.2440 -5.2016 -5.1690 -5.1556 -5.1177 -5.0875 -5.0721 -5.0228 -5.0035 -4.9696 -4.9246 -4.8750 -4.8613 -4.8259 -4.7691 -4.7429 -4.7315 -4.6955 -4.6416 -4.5979 -4.5686 -4.5587 -4.4910 -4.4786 -4.4165 -4.3922 -4.3621 -4.3414 -4.3018 -4.2683 -4.2362 -4.2217 -4.1991 -4.1621 -4.1407 -4.1040 -4.0475 -4.0332 -3.9975 -3.9772 -3.9428 -3.9243 -3.8917 -3.8579 -3.8291 -3.8019 -3.7511 -3.7055 -3.6947 -3.6489 -3.6160 -3.5917 -3.5875 -3.5333 -3.5269 -3.4721 -3.4561 -3.4169 -3.4040 -3.3746 -3.3688 -3.3306 -3.2931 -3.2597 -3.2206 -3.1917 -3.1803 -3.1523 -3.1135 -3.0876 -3.0537 -3.0144 -2.9736 -2.9537 -2.9371 -2.9224 -2.8742 -2.8218 -2.7949 -2.7528 -2.7434 -2.7110 -2.6528 -2.6343 -2.6209 -2.5797 -2.5645 -2.5274 -2.4888 -2.4832 -2.4322 -2.3807 -2.3459 -2.3172 -2.2413 -2.2200 -2.1566 -2.1311 -2.0519 -1.9977 -1.9479 -1.9185 -1.8617 -1.8454 -1.8118 -1.7438 -1.7190 -1.6951 -1.6536 -1.6375 -1.6010 -1.5773 -1.5336 -1.5133 -1.4800 -1.4306 -1.4092 -1.3773 -1.3622 -1.3404 -1.3036 -1.2779 -1.2491 -1.2212 -1.2145 -1.2047 -1.1643 -1.1457 -1.1256 -1.1111 -1.0947 -1.0851 -1.0668 -1.0513 -1.0288 -1.0084 -1.0044 -0.9676 -0.9237 -0.9042 -0.8913 -0.8838 -0.8537 -0.8427 -0.8011 -0.7895 -0.7648 -0.7435 -0.7129 -0.6979 -0.6700 -0.6303 -0.5951 -0.5806 -0.5726 -0.5559 -0.5034 -0.4865 -0.4699 -0.4601 -0.4416 -0.4323 -0.3945 -0.3845 -0.3642 -0.3401 -0.3283 -0.2964 -0.2838 -0.2671 -0.2636 -0.2376 -0.2260 -0.2085 -0.1971 -0.1657 -0.1420 -0.1275 -0.0971 -0.0771 -0.0348 0.0356 0.0617 0.0738 0.1217 0.1738 0.3513 0.4909 0.5747 0.6403 0.6610 0.6843 0.7252 0.8886 0.9836 1.0438 1.1797 1.2169 1.2739 1.3288 1.4076 1.4693 1.5266 1.5377 1.5717 1.6987 1.7553 1.8488 2.0962 2.3375 3.1148 3.5538 3.6988 3.7632 3.9009 3.9766 4.3976 4.5949 4.6913 4.7450 4.8488 4.9343 5.0420 5.2173 5.2661 5.3388 5.4869 5.6414 5.7109 5.7915 5.8390 5.8962 5.9802 6.0156 6.0621 6.1616 6.2110 6.3565 6.4643 6.5376 6.5970 6.6573 6.8035 6.8498 6.9147 6.9963 7.0759 7.1429 7.1982 7.2906 7.3037 7.3948 7.4713 7.5312 7.5886 7.6242 7.7303 7.7677 7.9306 8.0001 8.0489 8.1138 -19.2841 -18.8920 -18.5633 -18.5373 -18.4042 -18.2547 -18.2141 -18.1575 -18.0920 -18.0336 -17.9976 -17.9618 -17.9523 -17.8902 -17.8842 -17.8425 -17.7910 -17.7674 -17.7242 -17.7049 -17.6987 -17.6669 -17.6451 -17.6407 -17.6147 -17.5939 -17.5743 -17.5305 -17.4849 -17.4712 -17.4506 -17.4194 -17.4094 -17.3822 -17.3232 -17.3198 -17.2802 -17.2584 -17.1775 -17.0765 -7.1838 -6.8637 -6.7902 -6.7737 -6.7217 -6.6866 -6.6151 -6.5658 -6.4938 -6.4654 -6.4373 -6.3954 -6.3407 -6.3092 -6.2981 -6.2752 -6.2680 -6.2514 -6.2323 -6.2205 -6.1824 -6.1662 -6.1511 -6.1325 -6.1242 -6.0942 -6.0780 -6.0609 -6.0453 -6.0211 -5.9975 -5.9827 -5.9494 -5.9398 -5.9212 -5.9083 -5.8886 -5.8498 -5.8416 -5.8151 -5.7962 -5.7823 -5.7496 -5.7376 -5.7070 -5.6850 -5.6664 -5.6454 -5.6419 -5.6019 -5.5879 -5.5512 -5.5295 -5.4986 -5.4460 -5.4297 -5.4086 -5.3723 -5.3467 -5.3309 -5.3161 -5.2755 -5.2413 -5.2162 -5.1886 -5.1290 -5.1138 -5.0621 -5.0426 -5.0264 -4.9749 -4.9595 -4.9466 -4.9107 -4.8547 -4.8416 -4.7949 -4.7434 -4.7199 -4.6546 -4.6355 -4.5887 -4.5703 -4.5454 -4.5148 -4.4743 -4.4604 -4.4145 -4.3972 -4.3420 -4.2910 -4.2626 -4.2468 -4.1918 -4.1808 -4.1581 -4.1085 -4.0900 -4.0655 -4.0401 -4.0104 -3.9620 -3.9461 -3.9087 -3.9006 -3.8605 -3.8296 -3.7888 -3.7574 -3.7207 -3.6947 -3.6783 -3.6242 -3.6069 -3.5505 -3.5397 -3.5199 -3.4845 -3.4622 -3.4376 -3.4105 -3.3684 -3.3398 -3.3008 -3.2906 -3.2673 -3.2129 -3.1975 -3.1714 -3.1513 -3.1205 -3.0715 -3.0452 -3.0146 -2.9788 -2.9426 -2.9200 -2.9067 -2.8593 -2.8318 -2.7972 -2.7794 -2.7454 -2.7045 -2.6726 -2.6411 -2.6376 -2.5914 -2.5750 -2.5427 -2.4899 -2.4506 -2.4223 -2.3639 -2.3394 -2.3033 -2.2730 -2.2252 -2.2017 -2.1417 -2.0836 -2.0177 -1.9435 -1.8754 -1.8723 -1.8165 -1.7857 -1.7415 -1.7289 -1.6898 -1.6284 -1.6155 -1.6086 -1.5785 -1.5623 -1.5154 -1.4945 -1.4625 -1.4093 -1.3718 -1.3527 -1.3374 -1.3086 -1.2868 -1.2429 -1.2325 -1.2173 -1.1978 -1.1723 -1.1492 -1.1171 -1.1048 -1.0810 -1.0739 -1.0642 -1.0494 -1.0407 -1.0113 -0.9893 -0.9630 -0.9351 -0.9156 -0.8939 -0.8732 -0.8549 -0.8368 -0.8097 -0.7944 -0.7578 -0.7382 -0.7200 -0.6854 -0.6483 -0.6395 -0.6006 -0.5812 -0.5517 -0.5330 -0.5046 -0.4794 -0.4681 -0.4550 -0.4364 -0.4297 -0.4161 -0.3830 -0.3679 -0.3557 -0.3234 -0.3004 -0.2854 -0.2699 -0.2508 -0.2399 -0.2285 -0.2121 -0.1952 -0.1751 -0.1694 -0.1274 -0.1115 -0.0715 -0.0191 0.0135 0.0450 0.0807 0.1367 0.1950 0.3441 0.4913 0.5760 0.6510 0.6574 0.6810 0.7366 0.8803 0.9832 1.0409 1.1877 1.2137 1.2617 1.3384 1.3956 1.4695 1.5166 1.5675 1.6029 1.7000 1.7501 1.8486 2.0279 2.3336 3.2225 3.4687 3.6994 3.7593 3.9252 4.0733 4.4339 4.5610 4.6007 4.6918 4.8006 4.9139 5.0206 5.1444 5.3032 5.3400 5.5071 5.6942 5.7313 5.8240 5.8391 5.9368 6.0004 6.0361 6.1361 6.1980 6.2525 6.3758 6.3922 6.5565 6.6228 6.7005 6.7542 6.7978 6.8911 6.9886 7.0329 7.0832 7.1672 7.2322 7.3256 7.3915 7.4937 7.5064 7.5660 7.6558 7.7001 7.8119 7.8917 7.9368 8.0677 8.1274</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.35175 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.54882 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="243"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="270"
                          units="nonsi2:ev.angstrom-1">-0.163220 0.013531 -0.048572 -0.119724 1.228845 -0.212989 -0.185006 0.048245 0.253976 -0.000701 -0.125042 -0.642458 0.012450 0.007048 -0.009912 -0.115209 -1.417411 -0.176026 0.012652 0.059148 -0.047867 -0.104707 -0.054209 -0.131986 0.016418 0.028452 -0.007735 0.003529 -0.033839 0.009015 -0.246908 -0.025361 0.244462 -0.000870 0.057624 0.004814 0.104362 -0.052781 -0.100747 1.118337 -0.000292 -0.617153 -0.060433 -0.000818 -0.046338 -0.009891 0.024365 -0.077280 0.201892 0.103299 0.314294 0.127245 0.188758 -0.216229 0.055873 0.114824 -0.160424 -0.006560 0.011683 -0.014929 0.005874 -0.004598 -0.042909 0.012275 -0.019596 -0.010438 -1.176795 0.014769 -0.262753 0.052238 0.055823 -0.003721 -0.005026 0.026159 0.022207 0.162143 0.009946 -0.573784 0.041590 -0.014246 -0.664331 0.007332 0.044610 -0.023464 -0.095927 0.026953 -1.071297 0.000977 -0.009667 -0.027708 -0.005110 -0.030879 -0.060052 0.186625 -0.107444 -0.088327 0.067279 0.001089 -0.034554 -0.051094 0.055957 -0.077453 -0.172411 -0.061629 -0.167368 0.076335 -0.058154 -0.035627 -0.135968 -0.085762 0.014538 0.012493 -0.012650 0.000033 -0.058248 0.022601 -0.051560 0.054312 -0.019896 -0.018744 -0.073905 -0.174951 -0.238813 -0.606075 -0.195286 0.447318 0.007585 0.314676 -0.088928 -0.022209 0.021935 0.153171 -0.010525 -0.025448 0.090368 -0.025592 0.002231 -0.093462 0.004459 -0.068591 -0.113743 0.062013 0.056016 0.202450 -0.022751 -0.159325 -0.445700 -0.014965 -0.007061 -0.030181 -0.116841 0.224580 0.180702 0.590965 -0.347396 1.003582 -0.008626 0.023499 0.054088 0.137374 -0.098734 -0.348708 0.017486 0.020725 0.032250 0.026810 0.077516 0.129258 -0.004123 0.005272 -0.005779 -0.074797 -0.015341 0.043506 -0.015536 0.038197 0.384945 0.014861 -0.016741 -0.001192 0.168137 -0.031477 0.117884 -0.432342 0.064029 0.201438 0.026271 -0.304423 -0.047112 -0.316588 -0.023796 0.540621 -0.230437 0.044617 0.252462 -0.233010 0.003306 -0.144710 0.000731 0.058813 -0.341588 0.782861 0.075800 2.112898 0.073478 0.198379 -0.468992 0.023262 -0.000219 0.011030 -0.142168 -0.241793 0.150983 0.351649 0.437311 1.201907 -0.015658 -0.022820 0.075541 0.357824 0.153769 -0.322493 0.206879 -0.038672 0.160287 0.267074 -0.077714 -0.228414 -0.004467 -0.009180 0.028515 -0.363317 0.029899 0.056020 -0.113465 -0.035309 0.039959 -0.019106 -0.000316 0.013982 0.128362 0.034568 0.096045 -0.349185 -0.011688 5.502456 0.032926 0.523523 -0.037739 -0.182308 0.048611 0.253250 -0.001641 -0.129282 -0.646540 0.027075 0.007162 -0.018650 0.071293 -0.309302 0.012970 0.013379 0.004143 -0.017961 -0.104559 -0.056708 -0.125951 0.006466 -0.012629 -0.003844 0.014360 -0.014822 -0.084300 -0.242498 -0.025500 0.237453 -0.002880 -0.024128 -0.049528 0.102443 -0.042958 -0.181287 0.279271 -0.009870 -0.211092 0.002223 0.004647 -0.046618 -0.012018 0.024972 0.000635 0.197239 0.102975 0.312784 0.129514 0.189998 -0.224536 0.063155 0.120747 -0.165283 -0.021504 0.008890 -0.015523 0.003492 0.001551 0.000017 -0.011001 -0.013998 -0.011581 -0.547161 -0.038151 -0.216294 0.035575 -0.042524 0.011710 -0.003339 0.053251 -0.017523 0.162554 0.011304 -0.574240 0.040993 -0.015704 -0.664977 0.005679 0.041435 -0.033330 -0.033960 0.057484 -0.485856 0.002974 -0.001202 -0.012998 -0.001324 -0.031711 0.000858 0.183828 -0.107114 -0.092105 -0.006665 0.002445 -0.031404 -0.052286 0.051626 -0.078077 -0.173411 -0.057104 -0.162714 0.016808 0.106069 -0.017896 -0.145079 -0.080899 0.009516 0.056756 -0.010955 -0.133048 0.111503 0.012207 -0.012377 -0.129841 -0.014638 -0.002380 -0.072413 -0.174655 -0.242656 -0.609573 -0.188954 0.439424 0.014367 0.326507 -0.042081 -0.008508 0.023767 0.150523 -0.036263 -0.027529 0.041439 -0.023278 0.004647 -0.103293 0.006268 -0.019119 -0.117105 0.045052 -0.083971 0.181793 -0.024122 -0.156966 -0.442048 -0.035129 0.011864 -0.015777 -0.072711 -0.089723 0.054067 0.594357 -0.345672 0.988825 -0.013575 0.047641 0.059182 0.125845 -0.101583 -0.340532 0.040287 0.049821 0.033148 0.023294 0.080455 0.132011 -0.008379 0.020254 0.007958 -0.055558 -0.018836 0.022306 -0.013386 0.042591 0.389301 0.033945 0.007676 -0.005359 0.108854 -0.117607 0.089043 -0.429989 0.063113 0.180794 0.013406 -0.289043 -0.017278 -0.302794 -0.026020 0.539129 -0.232612 0.030425 -0.041503 -0.232324 0.001205 -0.146205 0.019988 0.006409 -0.309288 0.734215 -0.033883 -4.004674 0.078628 0.195914 -0.466959 0.015422 -0.006777 0.011831 -0.057131 -0.002803 0.026622 0.350862 0.435405 1.194722 -0.013640 -0.057519 0.078988 0.344512 0.157648 -0.323269 0.148438 -0.036489 0.083026 0.266148 -0.080680 -0.225018 -0.002533 -0.008876 0.059866 -0.187139 0.030257 0.011590 -0.119519 -0.039912 0.041732 -0.010932 -0.015110 0.008337 0.058776 0.063976 0.051389 -0.244881 -0.001562 3.936306 0.005568 0.667583 -0.083094 -0.182973 0.048404 0.253545 -0.001378 -0.128459 -0.645790 0.024048 0.007400 -0.016440 0.034343 -0.534647 -0.027114 0.014352 0.015084 -0.024709 -0.104054 -0.056393 -0.126893 0.009517 -0.003392 -0.004586 0.012172 -0.018412 -0.065125 -0.243725 -0.025337 0.239513 -0.002361 -0.006116 -0.037723 0.102988 -0.044945 -0.163427 0.464690 -0.007641 -0.307155 -0.011407 0.003475 -0.046907 -0.012016 0.026007 -0.016081 0.198360 0.103119 0.313140 0.128982 0.190083 -0.223289 0.062328 0.119324 -0.164492 -0.018911 0.009840 -0.015663 0.004190 0.000809 -0.009595 -0.005645 -0.016178 -0.013010 -0.670506 -0.027171 -0.231722 0.038854 -0.021987 0.008144 -0.003517 0.047143 -0.008779 0.162566 0.010906 -0.573707 0.041158 -0.015356 -0.664981 0.006076 0.042108 -0.031349 -0.049867 0.050740 -0.599462 0.002667 -0.003131 -0.016476 -0.002158 -0.031931 -0.012172 0.184591 -0.107311 -0.091373 0.009415 0.001859 -0.032896 -0.051891 0.052548 -0.077971 -0.173052 -0.058091 -0.163519 0.029022 0.072365 -0.022182 -0.143781 -0.081967 0.010170 0.047416 -0.011950 -0.105717 0.074809 0.014669 -0.021209 -0.089858 -0.015293 -0.006482 -0.072661 -0.175179 -0.242476 -0.608623 -0.190152 0.440874 0.012336 0.329493 -0.054154 -0.010845 0.023115 0.151377 -0.030765 -0.026314 0.050583 -0.023850 0.003959 -0.101484 0.006312 -0.028893 -0.118461 0.046676 -0.049463 0.190322 -0.024075 -0.157472 -0.442921 -0.029504 0.008008 -0.019138 -0.087771 -0.023519 0.082689 0.593510 -0.345964 0.992376 -0.013390 0.043384 0.057893 0.127854 -0.101163 -0.342667 0.035298 0.044479 0.032908 0.024372 0.079598 0.131751 -0.007503 0.015956 0.004863 -0.058994 -0.019438 0.027086 -0.013277 0.041337 0.388017 0.029519 0.003201 -0.004523 0.120390 -0.095430 0.095893 -0.430347 0.063338 0.184495 0.014750 -0.297912 -0.021288 -0.304879 -0.025368 0.539723 -0.235263 0.032821 0.025969 -0.232282 0.001750 -0.146066 0.014428 0.017673 -0.321951 0.666488 -0.021384 -2.305131 0.077609 0.196414 -0.467322 0.018191 -0.005186 0.011785 -0.075673 -0.055779 0.055340 0.351206 0.435819 1.197011 -0.014743 -0.050035 0.077811 0.346815 0.156947 -0.323117 0.162036 -0.038514 0.100139 0.266333 -0.079830 -0.225422 -0.003150 -0.008905 0.053629 -0.225737 0.029923 0.020356 -0.118105 -0.038699 0.041386 -0.013581 -0.012096 0.009247 0.074764 0.053286 0.062870 -0.186202 -0.003885 2.118251 0.061276 0.387126 0.013255 -0.181370 0.048931 0.252835 -0.001651 -0.129869 -0.647622 0.028365 0.005990 -0.020262 0.112033 -0.103860 0.050564 0.012067 -0.009008 -0.006217 -0.105555 -0.056986 -0.127112 0.002463 -0.017018 -0.000282 0.016353 -0.005396 -0.088614 -0.240161 -0.025934 0.233703 -0.002747 -0.040188 -0.060712 0.101818 -0.040759 -0.207742 0.076617 -0.011648 -0.105265 0.016382 0.005679 -0.044068 -0.011571 0.019774 0.017910 0.196070 0.102670 0.312589 0.130577 0.189556 -0.225110 0.063944 0.122630 -0.166324 -0.020835 0.007620 -0.014636 0.002945 0.002652 0.007632 -0.014140 -0.010891 -0.007754 -0.419455 -0.053567 -0.190965 0.030446 -0.062357 0.016053 -0.002419 0.058056 -0.029098 0.162876 0.011911 -0.575473 0.041257 -0.016269 -0.664599 0.005497 0.040667 -0.035429 -0.010074 0.061856 -0.379490 0.002565 0.000051 -0.007343 -0.001578 -0.028896 0.015551 0.183150 -0.106697 -0.092593 -0.023153 0.002581 -0.030135 -0.052839 0.050290 -0.077780 -0.173951 -0.055688 -0.161612 0.001595 0.136626 -0.013107 -0.145946 -0.079586 0.009558 0.062274 -0.007409 -0.157989 0.145727 0.008521 0.001757 -0.162129 -0.011768 0.003602 -0.071854 -0.173612 -0.242923 -0.610488 -0.189295 0.434884 0.017553 0.303136 -0.039175 -0.005089 0.025105 0.149184 -0.045126 -0.023831 0.024476 -0.022091 0.005438 -0.105786 0.006424 -0.007964 -0.110629 0.048555 -0.126533 0.170359 -0.023537 -0.156184 -0.441004 -0.040014 0.013857 -0.011541 -0.049383 -0.162031 0.021224 0.595669 -0.344832 0.983974 -0.015438 0.048600 0.058700 0.123089 -0.101841 -0.336626 0.045959 0.054988 0.033371 0.021488 0.081759 0.132244 -0.008766 0.023110 0.012408 -0.048578 -0.018714 0.015697 -0.013871 0.044686 0.390889 0.039336 0.014112 -0.006966 0.093937 -0.121846 0.086228 -0.429010 0.063565 0.175312 0.010158 -0.261216 -0.018968 -0.297228 -0.027172 0.536890 -0.205756 0.023163 -0.130616 -0.232059 0.000517 -0.147031 0.021890 -0.005515 -0.274167 0.477273 -0.049780 -0.746224 0.080473 0.195168 -0.466922 0.012746 -0.006694 0.010150 -0.031752 0.061527 -0.001225 0.350574 0.433747 1.190943 -0.011991 -0.061339 0.078876 0.339707 0.158362 -0.324516 0.119530 -0.036178 0.055446 0.266065 -0.082132 -0.224986 -0.001433 -0.011242 0.062731 -0.122354 0.029600 0.003200 -0.121601 -0.041948 0.042153 -0.007965 -0.018158 0.006868 0.044442 0.062107 0.037168 0.000374 -0.000927 0.054093 0.148862 0.041619 0.120391 -0.178926 0.050457 0.250894 0.000111 -0.131329 -0.649780 0.036074 0.000709 -0.021126 0.190259 0.456915 0.110600 0.011539 -0.041696 0.024026 -0.109842 -0.058807 -0.125881 -0.005351 -0.033986 0.008852 0.024349 0.011408 -0.135278 -0.233367 -0.027972 0.227239 -0.001961 -0.087632 -0.098547 0.099967 -0.034380 -0.274018 -0.499708 -0.017370 0.184333 0.056660 0.011911 -0.038440 -0.013472 0.010432 0.073386 0.192678 0.101411 0.310892 0.132752 0.188005 -0.228367 0.067166 0.127199 -0.169721 -0.024686 0.001481 -0.012065 0.000404 0.003454 0.037402 -0.023885 0.000610 0.008574 -0.145713 -0.089929 -0.151570 0.015077 -0.118070 0.027828 -0.001537 0.075423 -0.059223 0.163426 0.013195 -0.578974 0.042642 -0.017131 -0.666371 0.004216 0.038571 -0.040033 0.048289 0.073126 -0.066196 0.005336 0.004613 0.006631 -0.000900 -0.022307 0.060041 0.181127 -0.105293 -0.095214 -0.068827 0.005573 -0.027462 -0.053976 0.047279 -0.078139 -0.174933 -0.052059 -0.159427 -0.037400 0.227321 0.003945 -0.150193 -0.076117 0.008076 0.084002 -0.001351 -0.232421 0.254259 0.000796 0.038223 -0.267757 -0.006314 0.022469 -0.070675 -0.171395 -0.243901 -0.613617 -0.188013 0.427805 0.031734 0.280093 0.023474 0.003348 0.029212 0.147200 -0.061000 -0.016271 -0.022279 -0.020402 0.007873 -0.114262 0.005984 0.021629 -0.103400 0.068002 -0.274539 0.151407 -0.019385 -0.154620 -0.436591 -0.049244 0.020337 -0.002620 0.003181 -0.352429 -0.063244 0.598219 -0.342519 0.978831 -0.019382 0.054822 0.050696 0.115491 -0.102612 -0.332741 0.057372 0.067248 0.026129 0.017584 0.081908 0.133761 -0.010617 0.031519 0.021142 -0.032697 -0.024882 -0.001758 -0.018599 0.048532 0.396251 0.044434 0.027481 -0.011679 0.077968 -0.155688 0.093377 -0.426844 0.063936 0.161744 -0.004900 -0.226108 -0.001128 -0.286163 -0.030707 0.533665 -0.157591 0.005638 -0.352529 -0.231951 -0.001539 -0.148102 0.032246 -0.029659 -0.208746 0.139642 -0.084740 0.973668 0.084271 0.193715 -0.465851 0.008150 -0.008128 0.004812 0.034637 0.226017 -0.084551 0.349559 0.431285 1.186890 -0.007706 -0.076823 0.069345 0.330004 0.160062 -0.326495 0.053609 -0.027752 -0.003768 0.265516 -0.082160 -0.224336 0.001296 -0.012830 0.072788 0.051462 0.034817 -0.020314 -0.125943 -0.045173 0.044042 -0.006116 -0.025957 0.000655 0.021987 0.079580 0.000972 -0.018317 0.001318 0.236410 0.138496 -0.009251 0.124162 -0.178469 0.050310 0.251254 0.000614 -0.130869 -0.650572 0.027728 -0.001740 -0.015664 0.154782 0.427034 0.054253 0.012673 -0.033351 0.032341 -0.109885 -0.060499 -0.130154 -0.007191 -0.021037 0.015014 0.022894 0.007200 -0.109889 -0.232205 -0.028342 0.228009 -0.000375 -0.075316 -0.103460 0.098676 -0.033209 -0.291284 -0.500755 -0.017748 0.192503 0.047759 0.010734 -0.040469 -0.011002 0.006691 0.069366 0.191758 0.100592 0.310807 0.133299 0.187918 -0.226725 0.068303 0.127209 -0.170505 -0.018237 0.000367 -0.008346 -0.000840 0.003715 0.029752 -0.018373 0.003349 0.020870 -0.093061 -0.087642 -0.113644 0.017029 -0.101116 0.028350 0.000330 0.067864 -0.058148 0.163093 0.013221 -0.580192 0.043123 -0.017091 -0.666669 0.003770 0.038520 -0.039444 0.047074 0.077904 -0.015124 0.004022 -0.000082 0.009539 0.002442 -0.022700 0.054999 0.180556 -0.104694 -0.094489 -0.058609 0.004212 -0.029706 -0.054868 0.046431 -0.076818 -0.175184 -0.051584 -0.157774 -0.036229 0.194724 0.007974 -0.151778 -0.075714 0.009655 0.071793 0.003980 -0.201393 0.234972 -0.005111 0.044089 -0.233874 -0.005419 0.029132 -0.070585 -0.171268 -0.246097 -0.612824 -0.191136 0.416808 0.033457 0.264670 0.091186 0.005326 0.033390 0.144109 -0.055991 -0.012174 -0.036331 -0.020588 0.008743 -0.115935 0.003749 0.025126 -0.102030 0.070304 -0.234754 0.119117 -0.018158 -0.155113 -0.433436 -0.045858 0.014542 -0.004979 0.022371 -0.324511 -0.073141 0.596685 -0.340914 0.976566 -0.019172 0.046407 0.047356 0.112243 -0.102719 -0.335035 0.053820 0.064969 0.019010 0.017074 0.082144 0.133727 -0.007164 0.026087 0.021853 -0.035025 -0.023001 -0.006190 -0.020316 0.048449 0.396433 0.043035 0.027129 -0.008116 0.097596 -0.175416 0.086280 -0.426722 0.066050 0.154978 -0.009773 -0.215936 0.006168 -0.277339 -0.034555 0.528084 -0.144938 -0.001495 -0.314153 -0.232258 -0.002402 -0.148751 0.021497 -0.023522 -0.180154 0.166598 -0.077055 0.709347 0.084620 0.193725 -0.465859 0.012055 -0.003653 -0.000039 0.048650 0.222673 -0.090923 0.349179 0.428521 1.189801 -0.005842 -0.069548 0.056779 0.322981 0.160092 -0.330899 0.049294 -0.031015 -0.006297 0.265410 -0.082800 -0.225104 0.003869 -0.012087 0.065290 -0.032779 0.040005 -0.044646 -0.126687 -0.045230 0.043961 -0.010098 -0.024983 0.000431 0.026373 0.111788 -0.007181 -0.079044 0.006580 0.830382 0.119395 -0.140585 0.169858 -0.176685 0.049770 0.250979 0.002503 -0.129506 -0.654730 0.011072 -0.003225 -0.004902 0.088968 0.460340 0.143548 0.022285 -0.011609 0.058760 -0.107818 -0.061051 -0.145255 -0.017171 0.020316 0.028064 0.019701 0.027721 0.019743 -0.226867 -0.028722 0.226443 0.007380 -0.045015 -0.077018 0.099860 -0.031477 -0.346928 -0.570755 -0.024750 0.212277 0.022680 0.004033 -0.053787 -0.013234 0.000002 0.053545 0.188690 0.101212 0.311621 0.132093 0.187496 -0.220319 0.069596 0.127878 -0.171639 0.001130 -0.000577 -0.002225 -0.001694 0.004787 -0.007865 0.009539 -0.000976 0.028740 0.075785 -0.118828 -0.102725 0.003268 -0.070420 0.026230 0.007799 0.041316 -0.058548 0.163381 0.013183 -0.581858 0.043374 -0.017236 -0.665543 0.003361 0.037881 -0.038069 0.053371 0.080723 0.120590 -0.005348 -0.013382 0.017267 -0.004011 -0.024599 0.040380 0.179479 -0.105639 -0.094004 -0.028487 -0.001389 -0.035671 -0.053586 0.043995 -0.075425 -0.174643 -0.049381 -0.156690 -0.050295 0.126042 0.013463 -0.152887 -0.074221 0.011757 0.036164 0.017245 -0.141765 0.156545 -0.015432 0.058806 -0.110372 0.013093 0.035926 -0.070663 -0.170751 -0.254224 -0.616893 -0.201156 0.390192 0.018129 0.197461 0.058523 0.013910 0.029265 0.139435 -0.041871 -0.005257 -0.074867 -0.019284 0.008063 -0.123537 0.001740 0.033041 -0.094272 0.031433 -0.169492 0.049197 -0.016993 -0.154679 -0.435894 -0.033215 -0.001319 0.004490 0.064788 -0.248153 -0.106116 0.602763 -0.336856 0.969468 -0.024905 0.017634 0.041137 0.104412 -0.104696 -0.334932 0.042338 0.056073 -0.002101 0.016091 0.082412 0.134974 0.002884 0.017161 0.026692 -0.013475 -0.004764 -0.010248 -0.021327 0.049737 0.398140 0.042095 0.025432 -0.007882 0.079804 -0.089669 0.070277 -0.427475 0.073013 0.140048 -0.019392 -0.170643 -0.001223 -0.249350 -0.030141 0.515829 -0.104411 -0.018424 -0.209777 -0.231946 -0.002521 -0.150802 -0.006518 -0.022182 -0.074229 0.120905 -0.059851 -0.101849 0.089760 0.192873 -0.466453 0.013238 0.008797 -0.009264 0.078220 0.209783 -0.109681 0.351455 0.420340 1.183674 -0.004104 -0.048240 0.040018 0.302713 0.161204 -0.340361 0.039728 -0.035111 -0.031129 0.266590 -0.084004 -0.225862 0.011949 -0.023564 0.033429 -0.013437 0.030655 -0.074229 -0.130943 -0.046811 0.044747 -0.006203 -0.024546 -0.000770 0.012937 0.044291 -0.023979 -0.331142 0.020760 2.111092 0.040969 -0.464793 0.238295 -0.173305 0.049500 0.252090 0.006238 -0.127131 -0.663115 -0.031157 -0.009229 0.017640 -0.055473 0.491468 0.172890 0.034650 0.029739 0.113400 -0.104391 -0.065613 -0.179676 -0.033853 0.097468 0.055829 0.015794 0.034422 0.209018 -0.217585 -0.029701 0.226851 0.022070 0.020017 -0.048169 0.098082 -0.025976 -0.483481 -0.667420 -0.024689 0.275596 -0.025588 -0.007842 -0.076810 -0.009810 -0.020072 0.021774 0.181840 0.099866 0.312583 0.130524 0.183721 -0.206633 0.070204 0.128558 -0.174045 0.042592 -0.005574 0.011814 -0.004704 0.004495 -0.078082 0.062744 0.000311 0.062646 0.410400 -0.156192 -0.010423 -0.007929 0.001591 0.027081 0.021126 -0.002993 -0.055097 0.162261 0.013363 -0.587097 0.043909 -0.016633 -0.662420 0.001428 0.037219 -0.035680 0.056317 0.095730 0.352238 -0.020752 -0.039933 0.032490 -0.007415 -0.026470 0.007096 0.176416 -0.104344 -0.092495 0.031251 -0.012614 -0.046026 -0.053448 0.039752 -0.071722 -0.174701 -0.045504 -0.153223 -0.061950 -0.038346 0.024291 -0.154943 -0.071219 0.016489 -0.026849 0.052952 0.006979 0.006089 -0.046405 0.089370 0.116569 0.043471 0.062212 -0.071128 -0.166284 -0.269331 -0.617919 -0.220895 0.331960 0.005736 0.077414 0.133136 0.027915 0.031046 0.126489 -0.023287 0.014044 -0.151884 -0.019732 0.009867 -0.136568 -0.004764 0.047651 -0.059962 -0.018491 0.040972 -0.077327 -0.013213 -0.154340 -0.433870 -0.013317 -0.032938 0.007958 0.172482 -0.085043 -0.166453 0.604404 -0.328631 0.955908 -0.033517 -0.051687 0.023039 0.088228 -0.106755 -0.341143 0.023559 0.034295 -0.051071 0.015211 0.083698 0.137407 0.021586 -0.000944 0.034775 0.013821 0.034363 -0.020242 -0.027583 0.050231 0.399159 0.033861 0.014787 -0.001736 0.071259 -0.030055 0.026151 -0.427895 0.086634 0.107208 -0.034209 -0.090045 0.002468 -0.195869 -0.030150 0.486462 -0.001184 -0.052486 0.011670 -0.232155 -0.004161 -0.154274 -0.056750 -0.010157 0.149496 0.298098 -0.084062 -1.777990 0.096144 0.191484 -0.467095 0.021090 0.032751 -0.033389 0.144880 0.185913 -0.151902 0.352602 0.404556 1.172794 -0.002322 0.000391 0.001135 0.262732 0.162803 -0.362274 0.009443 -0.031629 -0.083931 0.267694 -0.086511 -0.227279 0.021605 -0.041928 -0.045120 -0.189034 0.025667 -0.140623 -0.136809 -0.047591 0.044391 -0.007403 -0.018909 -0.002057 0.005172 0.043506 -0.071657 -0.191797 0.013614 1.490818 0.074779 -0.299261 0.211142 -0.174972 0.049840 0.251749 0.004761 -0.128190 -0.659331 -0.011810 -0.009199 0.007023 0.012846 0.470704 0.153052 0.028764 0.011551 0.087034 -0.106380 -0.063317 -0.162904 -0.026419 0.062162 0.042961 0.018803 0.026832 0.127716 -0.222020 -0.029132 0.226319 0.016252 -0.009775 -0.062693 0.098839 -0.028318 -0.414975 -0.621663 -0.024988 0.243130 -0.002142 -0.001828 -0.066120 -0.010646 -0.009952 0.036622 0.185108 0.100202 0.312109 0.131238 0.184768 -0.213028 0.069453 0.128246 -0.173162 0.023017 -0.003917 0.005094 -0.003580 0.004147 -0.044967 0.036838 -0.000483 0.047008 0.254468 -0.137536 -0.055171 -0.002932 -0.031652 0.026719 0.014512 0.018350 -0.057800 0.162727 0.013454 -0.585670 0.043655 -0.016791 -0.663459 0.001898 0.037730 -0.037232 0.057147 0.091421 0.247989 -0.013270 -0.027175 0.024678 -0.005433 -0.026366 0.022516 0.177762 -0.104486 -0.093368 0.003132 -0.006772 -0.041077 -0.053690 0.041989 -0.073618 -0.174799 -0.047280 -0.154782 -0.056224 0.041864 0.018067 -0.153932 -0.072504 0.014142 -0.000152 0.036412 -0.061990 0.078137 -0.029710 0.073617 0.009636 0.028125 0.048722 -0.070871 -0.167514 -0.262079 -0.617477 -0.211334 0.359926 0.011903 0.134889 0.099374 0.020215 0.031187 0.132185 -0.031538 0.004231 -0.115487 -0.020242 0.009762 -0.130049 -0.001524 0.036698 -0.081737 0.004727 -0.068948 -0.020338 -0.014909 -0.154445 -0.435131 -0.024725 -0.017005 0.006436 0.121403 -0.166266 -0.138046 0.603378 -0.332726 0.960723 -0.029439 -0.017908 0.030965 0.096668 -0.104894 -0.338954 0.033388 0.046979 -0.027634 0.016160 0.085590 0.135777 0.013186 0.009024 0.030026 -0.000304 0.012902 -0.014403 -0.024921 0.049802 0.398318 0.039481 0.018523 -0.006168 0.082966 -0.054794 0.044583 -0.427630 0.080198 0.121963 -0.027704 -0.131246 -0.000533 -0.222635 -0.030836 0.500566 -0.056778 -0.037041 -0.092689 -0.232344 -0.003806 -0.152543 -0.034283 -0.011439 0.030435 0.186830 -0.067641 -0.952959 0.091397 0.192332 -0.466960 0.016142 0.020297 -0.022845 0.113689 0.200146 -0.134085 0.351788 0.412428 1.177180 -0.004166 -0.024671 0.023792 0.282777 0.161601 -0.352358 0.030053 -0.035260 -0.057799 0.267331 -0.087551 -0.226919 0.016910 -0.034872 -0.003964 -0.104513 0.028309 -0.111059 -0.132526 -0.046652 0.044134 -0.005901 -0.021776 -0.001593 0.012128 0.040945 -0.046929 -0.062837 0.014100 0.675751 0.052189 -0.330838 0.204564 -0.174280 0.049556 0.252033 0.005282 -0.127982 -0.660015 -0.016576 -0.007471 0.012273 -0.006857 0.413035 0.140414 0.028730 0.017683 0.089181 -0.105066 -0.063506 -0.168218 -0.023821 0.063481 0.044557 0.017487 0.026223 0.149224 -0.220522 -0.029111 0.227698 0.017176 0.002437 -0.051164 0.098106 -0.027671 -0.436785 -0.554786 -0.022485 0.224331 -0.012312 -0.004379 -0.065503 -0.009342 -0.012850 0.024064 0.183776 0.100248 0.312676 0.131103 0.184342 -0.210439 0.068719 0.128386 -0.172355 0.026647 -0.003816 0.005865 -0.003366 0.003770 -0.053907 0.040913 0.000532 0.050092 0.283639 -0.138556 -0.039511 -0.005978 -0.010721 0.023915 0.016207 0.011335 -0.051611 0.162567 0.013465 -0.586356 0.043683 -0.016713 -0.662894 0.001985 0.036835 -0.036517 0.051669 0.091609 0.268304 -0.014294 -0.029870 0.026827 -0.005152 -0.026191 0.011754 0.177287 -0.104525 -0.093098 0.015378 -0.007874 -0.040154 -0.053481 0.041130 -0.072781 -0.174680 -0.046472 -0.154378 -0.054123 -0.000319 0.017750 -0.153336 -0.071318 0.014748 -0.014129 0.040678 -0.024909 0.041098 -0.033131 0.072670 0.054361 0.029563 0.051282 -0.070395 -0.166339 -0.263861 -0.617209 -0.214147 0.347321 0.012837 0.110029 0.112917 0.023834 0.031305 0.129526 -0.026000 0.008847 -0.120079 -0.020559 0.009622 -0.132699 -0.003428 0.036247 -0.065674 -0.003934 -0.017543 -0.039349 -0.013857 -0.154097 -0.435335 -0.019601 -0.020638 0.006838 0.131068 -0.118946 -0.136855 0.603701 -0.331562 0.958534 -0.025495 -0.029240 0.028247 0.093266 -0.105109 -0.341169 0.027477 0.040545 -0.033161 0.016536 0.085523 0.135489 0.016449 0.008411 0.029376 0.009451 0.021074 -0.015921 -0.026201 0.049670 0.398104 0.036508 0.014821 -0.003819 0.077786 -0.035769 0.042608 -0.427708 0.082147 0.116371 -0.028157 -0.109164 -0.000649 -0.213393 -0.030556 0.494787 -0.037862 -0.043527 -0.044594 -0.232393 -0.003713 -0.153614 -0.040336 -0.004710 0.073394 0.025297 -0.064880 -0.186365 0.093584 0.191887 -0.467439 0.016382 0.023593 -0.024729 0.114786 0.178091 -0.126257 0.351891 0.410578 1.176331 -0.004282 -0.011447 0.014818 0.275589 0.161601 -0.358188 0.020964 -0.034133 -0.061558 0.267663 -0.087614 -0.227494 0.016201 -0.032779 -0.018166 -0.145998 0.026096 -0.122476 -0.134402 -0.046560 0.043583 -0.007715 -0.018049 0.000606 0.014588 0.037824 -0.048781 0.092008 0.012164 -0.190164 0.029960 -0.363147 0.199518 -0.173592 0.049401 0.252486 0.006120 -0.127727 -0.660623 -0.020531 -0.006067 0.016932 -0.023475 0.354625 0.141658 0.030280 0.025255 0.092247 -0.103712 -0.063531 -0.174569 -0.020533 0.064334 0.045362 0.015408 0.027726 0.177730 -0.218721 -0.029147 0.228788 0.019243 0.018521 -0.032053 0.097263 -0.026744 -0.463853 -0.475492 -0.018708 0.201396 -0.024400 -0.007441 -0.064920 -0.008771 -0.015929 0.008554 0.182344 0.100104 0.313653 0.130736 0.183047 -0.207390 0.067420 0.128491 -0.171602 0.030819 -0.003681 0.006762 -0.003301 0.003324 -0.065632 0.046426 0.001027 0.051525 0.316604 -0.141584 -0.024744 -0.010923 0.011756 0.020267 0.017801 0.002154 -0.044433 0.162323 0.013495 -0.587733 0.043712 -0.016549 -0.661488 0.001857 0.035780 -0.035670 0.044753 0.090527 0.291882 -0.015401 -0.033286 0.030111 -0.005979 -0.025690 -0.001308 0.176794 -0.104375 -0.092574 0.029401 -0.009999 -0.038674 -0.053180 0.040109 -0.071602 -0.174565 -0.045436 -0.153742 -0.051119 -0.047587 0.017812 -0.152201 -0.069850 0.015649 -0.030275 0.045158 0.016978 -0.003661 -0.039114 0.071794 0.109889 0.031529 0.053190 -0.069822 -0.164272 -0.265605 -0.617197 -0.217156 0.332144 0.010806 0.079080 0.109461 0.028083 0.031049 0.126053 -0.020247 0.011190 -0.124593 -0.020502 0.009627 -0.136206 -0.005525 0.035519 -0.050106 -0.014978 0.036706 -0.062488 -0.013171 -0.153872 -0.436262 -0.015331 -0.025457 0.006598 0.141415 -0.068200 -0.135999 0.604353 -0.330380 0.955755 -0.021664 -0.042970 0.025170 0.089331 -0.105317 -0.343772 0.022790 0.033750 -0.039905 0.016527 0.086459 0.135390 0.018940 0.008011 0.027477 0.019467 0.031216 -0.015065 -0.027269 0.049671 0.397732 0.031596 0.009269 -0.001966 0.066521 -0.001822 0.040344 -0.427950 0.084181 0.109222 -0.026732 -0.087589 -0.000427 -0.203158 -0.029870 0.487709 -0.011949 -0.043771 0.019640 -0.232270 -0.003748 -0.154494 -0.047240 0.001680 0.120613 -0.181968 -0.059252 0.633441 0.094570 0.191569 -0.468171 0.016124 0.027155 -0.027169 0.112356 0.157042 -0.120431 0.351991 0.408609 1.174235 -0.001286 0.004459 0.004087 0.267682 0.161688 -0.365504 0.014535 -0.030902 -0.064427 0.267873 -0.088633 -0.228133 0.014852 -0.031069 -0.035804 -0.181797 0.023488 -0.134638 -0.134929 -0.046573 0.043055 -0.008685 -0.013146 0.002144 0.012525 0.019649 -0.050625 0.071093 0.011889 -0.083307 0.019037 -0.339671 0.186613 -0.173439 0.049364 0.252695 0.006494 -0.128172 -0.659848 -0.016254 -0.004276 0.018050 -0.018870 0.296262 0.138323 0.027584 0.024909 0.083963 -0.102912 -0.062475 -0.174725 -0.012599 0.047402 0.040308 0.015048 0.025583 0.172503 -0.218411 -0.029112 0.229976 0.017862 0.021599 -0.017277 0.096318 -0.026589 -0.466940 -0.400726 -0.017327 0.172145 -0.027764 -0.007527 -0.058973 -0.007766 -0.014070 -0.002092 0.181865 0.100008 0.314413 0.130717 0.181759 -0.206845 0.065419 0.128775 -0.170203 0.025451 -0.002967 0.004379 -0.002535 0.001781 -0.061331 0.039747 0.001411 0.046527 0.292758 -0.135748 -0.023994 -0.014308 0.023351 0.015254 0.016286 0.001914 -0.036680 0.162135 0.013608 -0.588313 0.043514 -0.016501 -0.660474 0.001889 0.034313 -0.035676 0.035901 0.086137 0.279813 -0.012575 -0.030825 0.029570 -0.005497 -0.025891 -0.009268 0.176660 -0.104363 -0.092726 0.031767 -0.008829 -0.035214 -0.052902 0.039688 -0.071275 -0.174559 -0.044861 -0.154032 -0.045089 -0.065018 0.015372 -0.150320 -0.068299 0.015067 -0.037192 0.042308 0.032909 -0.022532 -0.037313 0.063688 0.122586 0.026799 0.050701 -0.068955 -0.162378 -0.264916 -0.616701 -0.215764 0.326057 0.013162 0.071903 0.100602 0.030573 0.030434 0.124102 -0.018826 0.011339 -0.112717 -0.020335 0.009473 -0.137907 -0.008301 0.030177 -0.040142 -0.016080 0.051145 -0.063959 -0.012545 -0.153531 -0.437764 -0.011250 -0.022434 0.007138 0.129740 -0.040254 -0.126505 0.604272 -0.330715 0.956041 -0.015257 -0.041958 0.023832 0.087518 -0.105078 -0.346077 0.023932 0.033304 -0.035851 0.016431 0.088236 0.134779 0.017807 0.012459 0.024482 0.027744 0.034258 -0.013573 -0.028220 0.049658 0.397218 0.025846 0.004921 -0.002117 0.053565 0.016171 0.043063 -0.428050 0.083292 0.107076 -0.020404 -0.078550 0.003462 -0.202791 -0.029055 0.485463 -0.013826 -0.042572 0.046129 -0.232073 -0.003593 -0.154698 -0.045012 0.006192 0.121457 -0.164339 -0.051734 0.528432 0.093837 0.191410 -0.468875 0.014896 0.024401 -0.024804 0.096124 0.130982 -0.106468 0.351647 0.409714 1.174160 -0.000064 0.012631 0.001272 0.266808 0.161559 -0.370281 0.014957 -0.030613 -0.056634 0.267690 -0.090169 -0.228567 0.010629 -0.026088 -0.036377 -0.175879 0.019160 -0.131390 -0.133976 -0.046573 0.042390 -0.010354 -0.008990 0.004036 0.012180 0.008199 -0.044642 0.002839 0.012313 0.246340 -0.010926 -0.261895 0.149123 -0.172719 0.049070 0.253313 0.007303 -0.129722 -0.657879 -0.003619 0.000438 0.021826 -0.007855 0.113194 0.112963 0.017041 0.022787 0.058591 -0.100472 -0.059423 -0.175851 0.011003 0.002636 0.026372 0.010303 0.019552 0.141700 -0.217381 -0.028771 0.233734 0.011658 0.031081 0.024384 0.093458 -0.026527 -0.476445 -0.167093 -0.010301 0.087848 -0.035663 -0.009599 -0.039743 -0.004324 -0.009247 -0.032941 0.180494 0.100557 0.316492 0.131045 0.180176 -0.205132 0.060491 0.129692 -0.165389 0.010737 -0.000196 -0.002990 0.000630 -0.001893 -0.046995 0.019229 0.003878 0.033785 0.227387 -0.120146 -0.015852 -0.021966 0.059951 0.001535 0.011932 0.001931 -0.013048 0.161907 0.013944 -0.588391 0.042934 -0.016439 -0.659483 0.002563 0.029980 -0.036022 0.008089 0.071874 0.246851 -0.004396 -0.023477 0.029183 -0.002429 -0.026650 -0.032813 0.176419 -0.104682 -0.093068 0.040443 -0.005208 -0.022232 -0.052094 0.038320 -0.070118 -0.174273 -0.043160 -0.154878 -0.022860 -0.121431 0.009775 -0.145565 -0.063618 0.013288 -0.056858 0.031772 0.085646 -0.078778 -0.031398 0.038167 0.158539 0.010675 0.042580 -0.066245 -0.158538 -0.263395 -0.613187 -0.211977 0.306593 0.014679 0.038513 0.086240 0.038563 0.029464 0.118834 -0.007241 0.012066 -0.078121 -0.020862 0.008385 -0.142284 -0.010994 0.011322 0.001060 -0.023112 0.096171 -0.066970 -0.011610 -0.152076 -0.440448 0.002848 -0.013455 0.005432 0.094118 0.056386 -0.087871 0.602286 -0.331641 0.959162 0.004885 -0.037715 0.016473 0.081920 -0.104774 -0.352562 0.017341 0.027642 -0.025924 0.017461 0.087670 0.132816 0.016344 0.020112 0.008619 0.052845 0.039025 -0.010279 -0.029186 0.049379 0.395397 0.005571 -0.006885 0.000153 0.028087 0.057632 0.049588 -0.428331 0.080997 0.102286 -0.007419 -0.044338 0.011130 -0.200302 -0.027265 0.478314 -0.008912 -0.036789 0.128983 -0.231916 -0.002432 -0.155371 -0.035734 0.017620 0.131079 -0.116403 -0.027887 0.178618 0.095687 0.190413 -0.470136 0.011606 0.015181 -0.017464 0.045341 0.047447 -0.056572 0.351055 0.412979 1.175514 0.004497 0.036746 -0.016948 0.263161 0.161719 -0.384014 0.008184 -0.024418 -0.029932 0.267761 -0.089001 -0.229392 -0.003918 -0.008979 -0.037522 -0.176194 0.014874 -0.129802 -0.135075 -0.046174 0.041057 -0.015699 0.002892 0.009318 0.010929 -0.020326 -0.025885 -0.157795 0.019678 0.951481 -0.070861 -0.124796 0.072976 -0.171947 0.047874 0.255301 0.008428 -0.133218 -0.652779 0.022047 0.012562 0.028044 0.024073 -0.203160 0.078417 -0.001669 0.021467 0.003034 -0.096354 -0.053287 -0.178532 0.058815 -0.094457 -0.005092 -0.002025 0.013012 0.090940 -0.215898 -0.028582 0.241739 0.003051 0.050477 0.107214 0.087112 -0.026919 -0.495772 0.298792 0.000398 -0.086581 -0.051974 -0.012921 0.000671 0.001385 -0.000886 -0.091957 0.177274 0.101106 0.320801 0.131122 0.176426 -0.201698 0.049929 0.130791 -0.155819 -0.020886 0.005261 -0.018463 0.004049 -0.007140 -0.016805 -0.018305 0.007799 0.006898 0.104022 -0.091501 -0.000719 -0.040647 0.128540 -0.026115 0.002549 -0.001111 0.036021 0.161005 0.013858 -0.588228 0.041546 -0.016623 -0.656134 0.003723 0.020642 -0.035930 -0.049525 0.035486 0.179290 0.010460 -0.009770 0.027817 0.000699 -0.026487 -0.079875 0.175710 -0.105858 -0.093708 0.055765 0.003253 0.006629 -0.051198 0.035215 -0.067814 -0.174219 -0.040263 -0.156599 0.018732 -0.231024 -0.001848 -0.136446 -0.054770 0.009762 -0.094241 0.008252 0.186533 -0.195558 -0.015949 -0.009545 0.228876 -0.022258 0.026791 -0.061208 -0.151514 -0.260315 -0.608967 -0.205169 0.270138 0.019918 -0.017073 0.066339 0.053205 0.026268 0.110293 0.008400 0.009679 -0.013785 -0.021404 0.005962 -0.150900 -0.018071 -0.024007 0.072058 -0.039886 0.157089 -0.070761 -0.009539 -0.149938 -0.446114 0.026289 0.004176 0.005388 0.033841 0.243100 -0.023014 0.600372 -0.333447 0.962041 0.043783 -0.033085 -0.000222 0.071077 -0.104084 -0.364253 0.010141 0.017650 -0.009395 0.018021 0.089901 0.130349 0.013971 0.035706 -0.024068 0.106254 0.052077 -0.004972 -0.032357 0.049031 0.392787 -0.027278 -0.029795 0.001941 -0.031637 0.145268 0.060072 -0.429261 0.076151 0.093027 0.027476 0.018020 0.010347 -0.196281 -0.023478 0.464634 0.005587 -0.022923 0.273997 -0.231799 -0.000848 -0.155535 -0.018264 0.047654 0.152937 -0.019585 0.011197 -0.533113 0.097119 0.187923 -0.471917 0.006988 0.002105 -0.005511 -0.044228 -0.103415 0.042269 0.349012 0.418209 1.178340 0.013170 0.084641 -0.049274 0.255873 0.161049 -0.410819 -0.003104 -0.009604 0.016169 0.267216 -0.091085 -0.230277 -0.028646 0.022616 -0.042216 -0.169003 -0.002243 -0.119990 -0.135869 -0.046703 0.039661 -0.026874 0.025176 0.022807 0.005932 -0.073349 0.010516 -0.108177 0.016426 0.738773 -0.046724 -0.166018 0.095940 -0.171710 0.048199 0.254675 0.007599 -0.131997 -0.653818 0.013990 0.009542 0.026221 0.011493 -0.121343 0.081835 0.004014 0.022808 0.020723 -0.097512 -0.054944 -0.177751 0.042048 -0.065070 0.003417 -0.000987 0.015331 0.102510 -0.215971 -0.028246 0.239228 0.005264 0.045302 0.081561 0.088688 -0.026609 -0.490130 0.168606 -0.001654 -0.036546 -0.047112 -0.011518 -0.012177 0.000112 -0.002083 -0.075159 0.177359 0.101398 0.319323 0.131034 0.177895 -0.201383 0.052649 0.130555 -0.157695 -0.011110 0.004193 -0.014066 0.003004 -0.004928 -0.025767 -0.007859 0.007075 0.014938 0.140399 -0.098203 -0.003002 -0.034736 0.109598 -0.017930 0.005252 0.000603 0.021929 0.161059 0.014008 -0.588626 0.041785 -0.016360 -0.657223 0.003466 0.023543 -0.035558 -0.032313 0.047223 0.197399 0.005416 -0.013303 0.028152 0.000690 -0.026668 -0.067078 0.175330 -0.105415 -0.093736 0.050735 0.001198 -0.002502 -0.051581 0.036350 -0.068738 -0.174353 -0.041069 -0.156336 0.006967 -0.200957 0.001281 -0.138816 -0.057222 0.011142 -0.083961 0.014703 0.158380 -0.161317 -0.021469 0.002783 0.207891 -0.012067 0.031421 -0.062773 -0.153141 -0.260480 -0.610517 -0.207259 0.281541 0.019156 0.001401 0.081521 0.048091 0.028054 0.113001 0.001572 0.012704 -0.034915 -0.021590 0.006803 -0.148507 -0.015377 -0.012566 0.051008 -0.034113 0.145060 -0.068594 -0.009231 -0.150404 -0.444674 0.015433 -0.000926 0.005833 0.053668 0.186117 -0.042842 0.601111 -0.332624 0.960137 0.032301 -0.034529 0.005642 0.074667 -0.103760 -0.360768 0.011278 0.020445 -0.016025 0.018019 0.088138 0.130119 0.014189 0.033061 -0.014172 0.087997 0.047246 -0.006771 -0.032684 0.049529 0.393177 -0.012984 -0.022951 0.000956 -0.011206 0.111035 0.055241 -0.429085 0.077793 0.095161 0.018287 -0.003512 0.011037 -0.197815 -0.025082 0.468855 0.000722 -0.026657 0.234591 -0.232386 -0.001113 -0.156077 -0.024082 0.038554 0.148257 -0.045693 -0.002149 -0.311997 0.099657 0.188676 -0.471918 0.008209 0.005625 -0.008794 -0.015575 -0.058529 0.015879 0.349330 0.416500 1.176506 0.010348 0.070346 -0.036985 0.258194 0.161063 -0.403015 0.001749 -0.016419 0.002225 0.267683 -0.089001 -0.230670 -0.021123 0.012066 -0.040394 -0.183163 0.002590 -0.128210 -0.138813 -0.046631 0.039206 -0.023260 0.018049 0.018860 0.009198 -0.052409 0.000646 0.063347 -0.003165 -0.122618 -0.062120 -0.110585 0.058457 -0.171419 0.047581 0.254818 0.007457 -0.135576 -0.650335 0.023005 0.011420 0.022547 0.026006 -0.173793 0.060753 -0.002786 0.015049 -0.002558 -0.097508 -0.051512 -0.174427 0.040010 -0.060506 -0.010905 -0.001768 0.005146 0.045887 -0.215734 -0.028328 0.243132 -0.001495 0.041364 0.100262 0.086547 -0.027668 -0.481317 0.255104 0.003966 -0.069200 -0.041811 -0.010269 0.015587 0.000953 0.000769 -0.074738 0.176537 0.101606 0.320658 0.132127 0.177479 -0.198658 0.049440 0.132464 -0.153928 -0.019572 0.003930 -0.019902 0.006806 -0.007574 0.002626 -0.014408 0.008666 0.008261 0.083446 -0.078780 0.000434 -0.037938 0.105407 -0.026679 -0.000005 0.003857 0.036818 0.160875 0.014097 -0.588075 0.041152 -0.016894 -0.656439 0.004672 0.019883 -0.037079 -0.041359 0.029529 0.171296 0.012535 -0.004489 0.024160 0.002721 -0.020609 -0.068923 0.175334 -0.106466 -0.094620 0.040863 0.003254 0.017068 -0.051062 0.035018 -0.068331 -0.174318 -0.040153 -0.157190 0.021961 -0.183301 -0.002563 -0.135298 -0.053810 0.009461 -0.082448 0.001322 0.154290 -0.149703 -0.010666 -0.015790 0.177145 -0.023179 0.024017 -0.060953 -0.153653 -0.259475 -0.607922 -0.200603 0.279388 0.016828 -0.013547 0.071517 0.052236 0.026182 0.109991 0.006431 0.008742 0.002334 -0.021686 0.005283 -0.151019 -0.013520 -0.020071 0.071610 -0.027741 0.130055 -0.048440 -0.007789 -0.149603 -0.446864 0.016555 0.008986 0.004603 0.028488 0.192245 -0.016179 0.599663 -0.333145 0.961351 0.040268 -0.020273 -0.000971 0.072167 -0.104441 -0.366064 0.013677 0.018017 -0.001750 0.018313 0.089531 0.129361 0.011211 0.021667 -0.023574 0.095949 0.038372 -0.007179 -0.033920 0.049307 0.392622 -0.018633 -0.023428 0.000152 -0.025701 0.123062 0.064991 -0.429561 0.073333 0.096849 0.025005 0.026283 0.015339 -0.203417 -0.023886 0.467244 0.007540 -0.016339 0.214843 -0.232121 -0.000369 -0.155233 -0.009290 0.043272 0.119906 -0.240082 0.035828 0.542971 0.100489 0.187437 -0.471803 0.009570 -0.007928 -0.003065 -0.047026 -0.086193 0.043187 0.350601 0.416329 1.179893 0.011673 0.070503 -0.048833 0.259893 0.161620 -0.408484 -0.019451 -0.005201 0.019470 0.267274 -0.091089 -0.230452 -0.024993 0.011515 -0.020047 -0.108708 -0.001123 -0.099485 -0.139105 -0.047058 0.039326 -0.022037 0.019483 0.019807 0.002536 -0.073585 0.015905 0.117483 -0.010003 -0.388729 -0.064839 -0.093584 0.045642 -0.171679 0.047742 0.254926 0.008298 -0.136595 -0.649557 0.026557 0.011695 0.022333 0.032027 -0.189432 0.062381 -0.008256 0.013605 -0.012776 -0.097346 -0.050171 -0.173072 0.039769 -0.059413 -0.015130 -0.001095 0.004360 0.031176 -0.215899 -0.028432 0.244526 -0.004069 0.040187 0.108359 0.086064 -0.027637 -0.478241 0.280867 0.006375 -0.079880 -0.040251 -0.008303 0.024958 0.001306 0.002182 -0.074650 0.177051 0.101516 0.321353 0.132550 0.175850 -0.198550 0.048070 0.133241 -0.153044 -0.022567 0.002859 -0.021922 0.008288 -0.009844 0.012264 -0.015315 0.008712 0.005630 0.065412 -0.073924 -0.000631 -0.040215 0.103009 -0.030125 -0.001738 0.005310 0.041645 0.160976 0.014248 -0.588270 0.041253 -0.016806 -0.655703 0.004694 0.018796 -0.037743 -0.044296 0.022559 0.162687 0.016285 -0.001373 0.024324 0.002123 -0.018377 -0.068919 0.175822 -0.106412 -0.094728 0.037110 0.003864 0.023471 -0.050657 0.034751 -0.068109 -0.174189 -0.039734 -0.157428 0.025762 -0.176250 -0.004522 -0.133389 -0.052529 0.008955 -0.082074 -0.003582 0.151461 -0.145008 -0.005727 -0.023210 0.167456 -0.026379 0.020646 -0.060250 -0.152605 -0.259039 -0.606166 -0.198386 0.278067 0.017052 -0.017584 0.059285 0.053380 0.025962 0.108628 0.007707 0.008000 0.014123 -0.021325 0.005290 -0.152027 -0.012899 -0.023490 0.077539 -0.026418 0.125617 -0.040787 -0.008305 -0.149224 -0.447511 0.020893 0.012378 0.004018 0.017540 0.193271 -0.005887 0.598297 -0.333011 0.963684 0.042153 -0.014361 -0.005623 0.071830 -0.104583 -0.368264 0.013966 0.015816 0.002631 0.018459 0.089565 0.129056 0.010330 0.019398 -0.026745 0.098184 0.035764 -0.006695 -0.033211 0.049371 0.392063 -0.024900 -0.023594 0.000279 -0.032725 0.128403 0.068321 -0.429501 0.072086 0.096842 0.028101 0.036417 0.019833 -0.205423 -0.023668 0.466175 0.009983 -0.011953 0.207326 -0.231720 -0.000353 -0.155088 -0.005115 0.044110 0.110604 -0.301148 0.047254 0.813902 0.098757 0.187194 -0.472048 0.010414 -0.012668 -0.003336 -0.057733 -0.095634 0.053557 0.351147 0.416379 1.179713 0.012368 0.070462 -0.050971 0.260903 0.161863 -0.410982 -0.024713 -0.002330 0.024029 0.267148 -0.091063 -0.230389 -0.026520 0.007987 -0.015041 -0.085159 -0.003395 -0.090075 -0.136710 -0.047047 0.038929 -0.020174 0.019989 0.019947 -0.000840 -0.083983 0.020154 0.082999 -0.013080 -0.215050 -0.063762 -0.071691 0.022832 -0.171552 0.047791 0.254572 0.008259 -0.139637 -0.646578 0.028198 0.011272 0.016498 0.028115 -0.183564 0.059161 -0.012476 0.006199 -0.025755 -0.098620 -0.046658 -0.169264 0.025909 -0.036223 -0.026599 -0.006270 -0.000602 -0.008754 -0.215769 -0.028265 0.247000 -0.009910 0.032832 0.114486 0.084687 -0.028221 -0.464859 0.237324 0.012354 -0.066284 -0.032426 -0.004846 0.046676 0.001212 0.005092 -0.061279 0.176468 0.102252 0.321646 0.133998 0.176524 -0.196102 0.046449 0.135565 -0.150214 -0.024242 0.001768 -0.024581 0.012523 -0.011117 0.037568 -0.013531 0.009184 0.003540 0.036502 -0.056119 0.002699 -0.039354 0.082598 -0.034863 -0.005988 0.007165 0.048441 0.160879 0.014713 -0.587685 0.040818 -0.016891 -0.655727 0.005388 0.017336 -0.039249 -0.044553 0.008548 0.144298 0.021336 0.006894 0.018351 0.003577 -0.011575 -0.060690 0.175705 -0.107003 -0.095766 0.024302 0.004531 0.036295 -0.050324 0.034261 -0.068401 -0.174291 -0.038917 -0.158334 0.036569 -0.130269 -0.005545 -0.131234 -0.050496 0.007495 -0.073596 -0.013786 0.123435 -0.108864 0.002441 -0.035534 0.118218 -0.026867 0.010753 -0.059461 -0.154029 -0.257920 -0.604382 -0.192214 0.285167 0.009941 -0.023653 0.048247 0.054567 0.024426 0.107782 0.010164 0.006483 0.038673 -0.021662 0.004271 -0.153422 -0.007989 -0.022716 0.086313 -0.017153 0.104924 -0.019145 -0.008336 -0.148605 -0.449453 0.017586 0.019130 0.004014 -0.003575 0.161223 0.011875 0.597088 -0.332599 0.966700 0.042598 0.001780 -0.010383 0.071563 -0.105236 -0.371483 0.015767 0.013774 0.012424 0.018866 0.089407 0.128386 0.007858 0.006584 -0.028738 0.089800 0.021683 -0.007256 -0.033131 0.049513 0.391826 -0.023921 -0.018310 -0.000881 -0.034600 0.112257 0.073641 -0.430137 0.069092 0.099851 0.034217 0.053386 0.027231 -0.212344 -0.022424 0.467534 0.009322 -0.001961 0.161653 -0.231783 0.000766 -0.154287 0.007136 0.039989 0.079311 -0.205215 0.057665 0.596829 0.099829 0.186659 -0.471585 0.013751 -0.024644 0.002390 -0.074296 -0.104511 0.065029 0.352918 0.414767 1.184167 0.010174 0.058681 -0.055785 0.263790 0.163238 -0.411295 -0.043796 0.004411 0.032784 0.266910 -0.090867 -0.230086 -0.026200 0.002396 0.007287 -0.005230 -0.006875 -0.060443 -0.137550 -0.047027 0.039122 -0.013861 0.016781 0.016201 -0.011893 -0.091111 0.029093 -0.017090 -0.018258 0.300813 -0.047520 -0.008586 -0.039455 -0.172100 0.047367 0.252820 0.009407 -0.148541 -0.639708 0.034352 0.009503 0.003138 0.017473 -0.160975 0.042044 -0.023683 -0.010569 -0.061654 -0.102203 -0.037108 -0.158625 -0.005582 0.019947 -0.054761 -0.004891 -0.011636 -0.120150 -0.216187 -0.028097 0.253615 -0.029181 0.012373 0.125857 0.080932 -0.030026 -0.429273 0.113846 0.027095 -0.021864 -0.009222 0.005551 0.104357 0.000346 0.014511 -0.019622 0.176234 0.103459 0.323005 0.137978 0.175598 -0.190999 0.041202 0.141910 -0.142958 -0.029143 -0.003780 -0.032287 0.024064 -0.015331 0.108242 -0.008062 0.011403 -0.000477 -0.026607 -0.009312 0.012495 -0.036698 0.029153 -0.047358 -0.018453 0.011607 0.067966 0.160494 0.015771 -0.586909 0.039536 -0.017506 -0.655392 0.006651 0.012736 -0.044740 -0.050012 -0.036619 0.089213 0.038023 0.028718 0.000963 0.006974 0.009099 -0.036921 0.176198 -0.108787 -0.098308 -0.011338 0.007437 0.073755 -0.049118 0.032338 -0.068962 -0.174497 -0.036838 -0.160807 0.060237 -0.007840 -0.011394 -0.124705 -0.045018 0.003290 -0.044762 -0.042636 0.036319 -0.011930 0.027900 -0.071774 -0.014307 -0.036034 -0.006886 -0.057318 -0.157271 -0.255069 -0.598381 -0.175581 0.301489 -0.009411 -0.042594 0.016687 0.057901 0.020117 0.102629 0.011103 0.004374 0.103832 -0.020998 0.002522 -0.157967 0.004244 -0.021463 0.107110 0.012893 0.057693 0.046768 -0.007605 -0.146912 -0.455017 0.015435 0.034977 0.003875 -0.055575 0.077183 0.059113 0.592052 -0.331597 0.976437 0.043042 0.037546 -0.025144 0.070814 -0.106914 -0.380993 0.015385 0.006912 0.043095 0.018430 0.089595 0.126046 -0.000956 -0.025280 -0.036683 0.070681 -0.011751 -0.012649 -0.033617 0.050268 0.390791 -0.028725 -0.005228 -0.002684 -0.043087 0.066968 0.084696 -0.431600 0.060139 0.107438 0.037079 0.107391 0.047492 -0.231753 -0.019803 0.467980 0.003513 0.029708 0.034137 -0.231282 0.002134 -0.152957 0.044442 0.030590 -0.003803 0.032297 0.074522 -0.010847 0.099086 0.185001 -0.471388 0.019878 -0.056513 0.015702 -0.115286 -0.120761 0.097074 0.358447 0.410730 1.191516 0.005812 0.029115 -0.066738 0.272044 0.165888 -0.413938 -0.094121 0.024912 0.060186 0.265608 -0.091806 -0.229957 -0.022551 -0.019970 0.072672 0.210135 -0.010005 0.020166 -0.135815 -0.048048 0.038455 0.002610 0.006703 0.009195 -0.041500 -0.113469 0.054646 0.032295 -0.023793 0.065144 -0.045808 -0.012472 -0.038148 -0.172412 0.047517 0.252797 0.010717 -0.148145 -0.639523 0.023657 0.005686 0.001795 -0.005035 -0.118090 0.041983 -0.022632 -0.009152 -0.050338 -0.104615 -0.035953 -0.158366 -0.008304 0.014742 -0.044590 -0.004299 -0.008310 -0.095038 -0.216369 -0.028329 0.252964 -0.027777 0.014073 0.104479 0.081966 -0.030387 -0.420420 0.080320 0.030383 0.001253 -0.005601 0.007120 0.094093 0.001791 0.011824 -0.000100 0.176834 0.103383 0.321797 0.139806 0.177262 -0.192527 0.043189 0.141321 -0.142470 -0.017874 -0.003891 -0.022511 0.024846 -0.010915 0.095320 -0.001504 0.010490 0.006464 -0.011943 -0.001495 0.018586 -0.030014 0.014284 -0.042649 -0.017311 0.002559 0.058739 0.160663 0.015524 -0.588032 0.039419 -0.017434 -0.655906 0.005245 0.016712 -0.043827 -0.047262 -0.036949 0.078612 0.034289 0.027577 -0.003472 0.007002 0.015406 -0.021878 0.176302 -0.108943 -0.097560 -0.012599 0.008439 0.069248 -0.049172 0.032809 -0.069212 -0.174688 -0.037390 -0.160251 0.055803 0.013823 -0.011998 -0.127341 -0.049329 0.003041 -0.037795 -0.036608 0.014775 0.005526 0.020588 -0.065147 -0.025973 -0.028112 -0.008658 -0.059000 -0.158719 -0.250990 -0.598001 -0.177070 0.314762 -0.013276 -0.040822 0.012852 0.055444 0.019221 0.104359 0.015554 0.004710 0.089690 -0.020850 0.002610 -0.156810 0.010300 -0.012396 0.094082 0.013842 0.042525 0.041203 -0.008647 -0.147936 -0.455061 0.012050 0.025042 0.003990 -0.049932 0.046838 0.055659 0.591056 -0.330933 0.978203 0.034811 0.026820 -0.022847 0.073163 -0.107787 -0.379099 0.013008 0.006601 0.041278 0.017879 0.089517 0.126804 -0.003144 -0.021017 -0.025235 0.052778 -0.017894 -0.013127 -0.032420 0.050149 0.391472 -0.020632 -0.000540 -0.004285 -0.025630 0.041100 0.080751 -0.431400 0.062828 0.110164 0.025163 0.104363 0.050145 -0.231361 -0.020712 0.470498 0.000978 0.028956 0.014189 -0.231558 0.001975 -0.152966 0.035505 0.023290 -0.003330 0.000315 0.072574 0.201027 0.098346 0.185784 -0.470999 0.014900 -0.043317 0.014294 -0.095215 -0.102089 0.085661 0.359145 0.409033 1.193372 0.000628 0.023110 -0.056547 0.271403 0.166248 -0.407669 -0.087404 0.022780 0.055767 0.265652 -0.091950 -0.230044 -0.015637 -0.014976 0.066642 0.199239 -0.008123 0.031201 -0.135228 -0.048008 0.038866 0.007120 0.006124 0.007807 -0.042283 -0.103734 0.045806 0.163875 -0.033594 -0.568904 -0.033429 -0.021136 -0.036085 -0.172974 0.048149 0.252412 0.014492 -0.146609 -0.638564 -0.013353 -0.004016 -0.005165 -0.067412 0.008242 0.039168 -0.019128 -0.004636 -0.015908 -0.111137 -0.032354 -0.157666 -0.018655 -0.002339 -0.010822 -0.003708 0.002594 -0.018325 -0.216556 -0.028648 0.251579 -0.023111 0.020017 0.043334 0.085403 -0.031011 -0.394120 -0.016431 0.040177 0.072614 0.006206 0.010643 0.066763 0.006502 0.002940 0.055995 0.178234 0.103773 0.318835 0.145056 0.183122 -0.195884 0.049565 0.140024 -0.139885 0.015350 -0.002719 0.006238 0.027441 0.003310 0.056099 0.018354 0.008147 0.025626 0.030425 0.019919 0.034043 -0.010877 -0.029102 -0.027257 -0.014072 -0.024394 0.032609 0.161117 0.015212 -0.590795 0.038895 -0.016986 -0.657413 0.001482 0.028457 -0.040769 -0.038989 -0.039327 0.049073 0.022918 0.023020 -0.015030 0.005743 0.033026 0.022484 0.176486 -0.109178 -0.095103 -0.017455 0.010607 0.056176 -0.048980 0.034474 -0.069528 -0.174942 -0.038565 -0.158243 0.039217 0.077539 -0.010061 -0.135172 -0.061404 0.002992 -0.017019 -0.018068 -0.051000 0.054245 0.001933 -0.042545 -0.054106 -0.006806 -0.009947 -0.063754 -0.162990 -0.238693 -0.597189 -0.180653 0.350919 -0.028731 -0.042268 -0.009874 0.048839 0.016474 0.108314 0.026166 0.001688 0.051893 -0.020064 0.003080 -0.153809 0.023429 0.013760 0.057182 0.012910 -0.002777 0.030193 -0.009670 -0.150289 -0.455767 0.001891 -0.004266 0.005967 -0.041328 -0.035039 0.042063 0.588795 -0.328693 0.982116 0.010968 -0.000952 -0.013041 0.079618 -0.110049 -0.374031 0.002795 -0.001401 0.034839 0.016413 0.089463 0.128132 -0.009375 -0.012177 0.005935 0.003003 -0.041705 -0.009087 -0.030418 0.050115 0.393715 0.002244 0.013316 -0.010202 0.017641 -0.036779 0.078244 -0.430355 0.070637 0.117840 -0.005260 0.102315 0.055910 -0.230000 -0.022573 0.477373 0.000623 0.024757 -0.048279 -0.231981 0.001881 -0.153584 0.006736 0.002248 -0.004930 -0.083604 0.064172 0.756701 0.098354 0.188186 -0.470077 -0.000643 -0.001359 0.009450 -0.037775 -0.043801 0.053244 0.361393 0.404675 1.199324 -0.010574 0.004236 -0.027513 0.269606 0.167473 -0.389626 -0.058100 0.018916 0.035679 0.265772 -0.091835 -0.230680 0.001536 -0.002520 0.054312 0.175298 -0.006179 0.061738 -0.135374 -0.047638 0.039413 0.015408 0.003099 -0.004074 -0.038746 -0.078980 0.025750 0.134149 -0.029158 -0.403049 -0.032912 -0.024114 -0.031282 -0.172612 0.048285 0.252417 0.015454 -0.145981 -0.638450 -0.019573 -0.004643 -0.006061 -0.078269 0.029918 0.040131 -0.018083 -0.004130 -0.007404 -0.112382 -0.031946 -0.157150 -0.017615 -0.003757 -0.002518 -0.002428 0.005154 -0.001502 -0.216165 -0.028816 0.250969 -0.021125 0.021294 0.029684 0.086160 -0.031075 -0.388710 -0.035287 0.039648 0.086877 0.008122 0.010731 0.059173 0.006332 0.001321 0.063527 0.178044 0.103838 0.318016 0.146002 0.184421 -0.195912 0.051341 0.139409 -0.139050 0.020180 -0.002252 0.012796 0.027249 0.006326 0.044918 0.019743 0.007606 0.029182 0.040833 0.025044 0.037205 -0.006573 -0.035326 -0.023933 -0.012854 -0.029355 0.026674 0.161240 0.015101 -0.591406 0.038721 -0.016930 -0.658318 0.000509 0.030934 -0.039623 -0.036215 -0.038096 0.043340 0.020510 0.021108 -0.016814 0.005523 0.035674 0.030737 0.176239 -0.109238 -0.094732 -0.016615 0.009975 0.051641 -0.048944 0.034867 -0.069632 -0.174919 -0.038935 -0.157867 0.035494 0.084246 -0.008351 -0.137115 -0.064084 0.003353 -0.014017 -0.013095 -0.058727 0.059312 -0.002023 -0.036740 -0.054522 -0.003321 -0.010730 -0.064701 -0.163840 -0.236117 -0.597143 -0.181335 0.356253 -0.029833 -0.041474 -0.012611 0.048085 0.015924 0.108367 0.027529 0.001537 0.045520 -0.020510 0.003189 -0.153338 0.024529 0.017267 0.048449 0.011326 -0.012909 0.024134 -0.007918 -0.150638 -0.455734 0.000715 -0.008313 0.005279 -0.039499 -0.044420 0.039848 0.588548 -0.328227 0.982324 0.007979 -0.005475 -0.011147 0.080391 -0.110750 -0.373067 0.000391 -0.002585 0.031759 0.016693 0.088654 0.127910 -0.008917 -0.011051 0.010697 -0.005087 -0.044232 -0.006215 -0.031893 0.049855 0.394209 0.006014 0.015377 -0.011436 0.025725 -0.052956 0.081263 -0.430106 0.072111 0.119161 -0.012451 0.098757 0.055962 -0.229032 -0.022825 0.478856 -0.002356 0.024004 -0.051536 -0.232319 0.001771 -0.154053 -0.000225 0.000113 -0.000682 -0.033840 0.056188 0.571106 0.100779 0.188575 -0.470051 -0.002579 0.005379 0.007452 -0.027626 -0.037591 0.047403 0.361700 0.403752 1.200437 -0.009893 0.000819 -0.024439 0.268669 0.167978 -0.386075 -0.052428 0.018304 0.031595 0.266046 -0.091133 -0.231277 0.002575 0.001326 0.050667 0.157243 -0.002739 0.064721 -0.137849 -0.047370 0.039376 0.015426 0.002652 -0.007166 -0.037086 -0.072295 0.019515 0.039608 -0.017487 0.125440 -0.026353 -0.033357 -0.018083 -0.172686 0.048821 0.252761 0.018781 -0.143660 -0.638675 -0.035138 -0.008644 -0.008405 -0.101055 0.106562 0.047875 -0.014002 0.000337 0.016724 -0.115754 -0.030086 -0.155203 -0.017819 -0.011669 0.021304 0.001461 0.014342 0.054422 -0.216121 -0.029013 0.249103 -0.016086 0.022382 -0.007590 0.088511 -0.031136 -0.372488 -0.095397 0.040709 0.130016 0.011662 0.010924 0.035554 0.007359 -0.002640 0.089757 0.179029 0.104091 0.316068 0.148642 0.187712 -0.197767 0.056117 0.137711 -0.137505 0.036904 -0.000450 0.031665 0.026884 0.014876 0.013000 0.025575 0.004756 0.038943 0.074185 0.038643 0.047263 0.004373 -0.056430 -0.013538 -0.008905 -0.043243 0.009548 0.161613 0.014803 -0.593317 0.038415 -0.016401 -0.659796 -0.002542 0.038476 -0.036183 -0.030228 -0.035378 0.027553 0.011601 0.014997 -0.021694 0.003495 0.043012 0.055898 0.176375 -0.109221 -0.093115 -0.015168 0.010883 0.038690 -0.048663 0.036339 -0.069835 -0.174858 -0.039914 -0.156331 0.023836 0.107019 -0.004054 -0.142943 -0.071792 0.004184 -0.005054 0.000208 -0.084312 0.073578 -0.013767 -0.017860 -0.059339 0.007912 -0.011307 -0.067600 -0.166032 -0.228771 -0.596348 -0.184454 0.377436 -0.033047 -0.042720 -0.023324 0.044026 0.014404 0.111093 0.033067 0.000948 0.018049 -0.019867 0.003863 -0.151149 0.028841 0.032425 0.019086 0.003361 -0.042478 0.012779 -0.007432 -0.152050 -0.456070 -0.003112 -0.024186 0.008761 -0.035515 -0.079692 0.029199 0.586995 -0.326116 0.984768 -0.004794 -0.023209 -0.004811 0.084708 -0.111670 -0.368624 -0.006460 -0.007717 0.024187 0.015748 0.088549 0.128922 -0.011024 -0.006453 0.027917 -0.033622 -0.052723 0.000148 -0.031479 0.050140 0.396081 0.018469 0.022348 -0.013807 0.049188 -0.098821 0.075850 -0.429159 0.078131 0.123439 -0.035202 0.086604 0.054294 -0.226047 -0.023871 0.484615 -0.009852 0.019823 -0.066715 -0.232687 0.001473 -0.154694 -0.020204 -0.006968 0.009786 0.108764 0.033937 -0.027279 0.101275 0.190224 -0.469627 -0.013669 0.028034 0.004435 0.006123 -0.006042 0.021104 0.362820 0.400351 1.204341 -0.016175 -0.008880 -0.007639 0.266164 0.168368 -0.373994 -0.027750 0.013968 0.020868 0.266447 -0.090778 -0.231832 0.011926 0.009364 0.035130 0.116020 0.001730 0.073539 -0.138271 -0.047310 0.039664 0.020905 0.001460 -0.016314 -0.035423 -0.055203 0.000448 0.031443 -0.016631 0.170389 -0.026113 -0.035020 -0.016511 -0.172439 0.048851 0.252606 0.018920 -0.143520 -0.638840 -0.036702 -0.008939 -0.008921 -0.105147 0.109424 0.045296 -0.014190 0.000398 0.018158 -0.116080 -0.030110 -0.155690 -0.017918 -0.012189 0.022586 0.001653 0.014460 0.057393 -0.215868 -0.029043 0.248731 -0.015418 0.022588 -0.012116 0.088635 -0.031168 -0.371491 -0.098254 0.041476 0.134411 0.011468 0.011343 0.033958 0.007585 -0.003063 0.091694 0.178828 0.104109 0.315604 0.148967 0.188064 -0.197684 0.056501 0.137571 -0.137282 0.038611 -0.000344 0.033209 0.026568 0.015325 0.010328 0.025647 0.004750 0.039715 0.076417 0.041460 0.048539 0.006025 -0.057682 -0.012634 -0.008601 -0.044493 0.007923 0.161598 0.014774 -0.593412 0.038335 -0.016353 -0.660438 -0.002707 0.039144 -0.036207 -0.029460 -0.034651 0.026041 0.010911 0.014592 -0.022448 0.003868 0.043764 0.057159 0.176187 -0.109196 -0.093245 -0.015375 0.010753 0.036998 -0.048681 0.036426 -0.070062 -0.174852 -0.040008 -0.156498 0.023801 0.107808 -0.003939 -0.143406 -0.072493 0.004088 -0.003321 0.001239 -0.086305 0.074286 -0.015079 -0.016233 -0.060196 0.008715 -0.010738 -0.067852 -0.166214 -0.228359 -0.596181 -0.184237 0.376979 -0.033697 -0.042523 -0.020142 0.044184 0.014750 0.110261 0.033724 -0.000400 0.017860 -0.020007 0.003868 -0.151194 0.028996 0.031846 0.019459 0.004282 -0.043273 0.011607 -0.007026 -0.151919 -0.455748 -0.001934 -0.023969 0.006822 -0.034482 -0.080927 0.029208 0.586710 -0.326109 0.985354 -0.003274 -0.023753 -0.005920 0.084380 -0.112025 -0.368821 -0.006671 -0.006926 0.023485 0.015788 0.087285 0.128517 -0.010266 -0.005983 0.027098 -0.032542 -0.054690 0.000116 -0.031838 0.050136 0.395950 0.018028 0.022705 -0.014351 0.051830 -0.105979 0.078488 -0.428944 0.078093 0.124080 -0.034847 0.087455 0.054797 -0.225913 -0.024274 0.484270 -0.012322 0.019999 -0.068466 -0.232741 0.001483 -0.154990 -0.020241 -0.005135 0.011632 0.120342 0.033536 -0.063247 0.102811 0.190179 -0.469676 -0.013390 0.026910 0.003111 0.004597 -0.006826 0.020840 0.362654 0.400273 1.203648 -0.016082 -0.009241 -0.009606 0.265953 0.168666 -0.373562 -0.029003 0.013960 0.019056 0.266439 -0.089561 -0.232204 0.012094 0.009019 0.035158 0.109474 0.003873 0.072693 -0.139831 -0.047292 0.039383 0.020800 0.001642 -0.017569 -0.035524 -0.051479 -0.000147 0.035694 -0.015143 0.148593 -0.025037 -0.031658 -0.015217 -0.172985 0.049050 0.252666 0.019931 -0.142572 -0.639695 -0.034839 -0.008227 -0.007466 -0.095245 0.102597 0.041548 -0.011776 -0.000947 0.020852 -0.116050 -0.030013 -0.153728 -0.016364 -0.009280 0.023724 0.002574 0.015777 0.060785 -0.216419 -0.029120 0.248113 -0.012839 0.020604 -0.017171 0.088754 -0.030956 -0.369016 -0.082268 0.038223 0.129481 0.009450 0.010967 0.027966 0.006025 -0.002950 0.087692 0.179355 0.104171 0.315605 0.148469 0.187728 -0.198515 0.057040 0.137085 -0.137760 0.036860 0.000045 0.034787 0.023786 0.015159 0.002950 0.021351 0.004079 0.039306 0.075201 0.040196 0.048199 0.006400 -0.053787 -0.011428 -0.007795 -0.041997 0.007011 0.161560 0.014750 -0.593916 0.038197 -0.016222 -0.661179 -0.003760 0.039467 -0.035174 -0.026907 -0.031956 0.022507 0.009455 0.012065 -0.021044 0.002860 0.041825 0.058212 0.176338 -0.109154 -0.093195 -0.013107 0.010265 0.032833 -0.048675 0.036722 -0.070287 -0.174971 -0.040153 -0.156206 0.021292 0.098592 -0.003065 -0.144570 -0.072878 0.004484 -0.002333 0.001955 -0.077777 0.067627 -0.015129 -0.012178 -0.053447 0.007609 -0.010338 -0.068133 -0.165903 -0.228391 -0.597164 -0.184439 0.378982 -0.031793 -0.043565 -0.018179 0.043835 0.013616 0.110709 0.036185 -0.000042 0.015782 -0.020100 0.004178 -0.151075 0.028607 0.032059 0.017435 0.002138 -0.044080 0.009656 -0.008075 -0.152072 -0.457108 0.000069 -0.023834 0.010831 -0.036895 -0.078466 0.027751 0.587139 -0.325505 0.985368 -0.003319 -0.024753 -0.004170 0.084872 -0.111884 -0.368132 -0.008835 -0.007582 0.022154 0.015603 0.088491 0.128649 -0.010031 -0.005950 0.028356 -0.035193 -0.053955 0.001008 -0.030977 0.050069 0.396294 0.016552 0.022807 -0.014786 0.049011 -0.102473 0.081736 -0.429051 0.078985 0.123817 -0.037345 0.085311 0.056048 -0.225244 -0.023203 0.485745 -0.012907 0.018079 -0.062233 -0.232875 0.001289 -0.155214 -0.022788 -0.007233 0.012073 0.115324 0.033668 -0.045394 0.100428 0.190506 -0.470106 -0.016181 0.028963 0.004792 0.008921 -0.003188 0.018353 0.362702 0.399539 1.204914 -0.016589 -0.010198 -0.006278 0.265048 0.168598 -0.371799 -0.026647 0.012591 0.018877 0.266309 -0.090622 -0.232378 0.011994 0.009926 0.030011 0.096567 0.006000 0.072336 -0.137725 -0.047123 0.039201 0.021200 0.002044 -0.017283 -0.033466 -0.047435 -0.001313 0.049589 -0.011156 0.086064 -0.020822 -0.020697 -0.008255 -0.172482 0.049368 0.253950 0.022414 -0.139961 -0.640360 -0.029401 -0.005417 -0.004281 -0.066943 0.083401 0.043731 -0.005715 0.000134 0.027676 -0.115476 -0.030029 -0.146817 -0.009731 0.001397 0.027871 0.005019 0.020311 0.075422 -0.216084 -0.029548 0.248150 -0.004570 0.013336 -0.026968 0.089081 -0.030324 -0.359766 -0.039982 0.028018 0.109536 0.004217 0.008166 0.010956 0.001100 -0.001808 0.078882 0.179184 0.104180 0.315906 0.147997 0.188028 -0.196659 0.059621 0.135323 -0.136194 0.032338 0.002224 0.041184 0.018071 0.015427 -0.017429 0.009310 0.001341 0.036272 0.076259 0.033125 0.046742 0.006352 -0.045608 -0.007163 -0.003955 -0.036150 0.004474 0.161634 0.014586 -0.594070 0.037681 -0.016111 -0.662541 -0.005996 0.040723 -0.030708 -0.019488 -0.025675 0.013802 0.004770 0.005005 -0.017294 -0.001307 0.038076 0.062202 0.176036 -0.109109 -0.092283 -0.007046 0.008201 0.019456 -0.048342 0.037321 -0.069895 -0.174692 -0.040627 -0.154551 0.012657 0.073053 -0.000029 -0.147497 -0.074440 0.007304 -0.003856 0.003336 -0.052931 0.049176 -0.015114 -0.000272 -0.033397 0.005011 -0.008182 -0.068571 -0.165547 -0.225179 -0.595537 -0.185098 0.385358 -0.023212 -0.044365 -0.027122 0.043303 0.014207 0.112070 0.035455 -0.001233 0.004277 -0.020483 0.004424 -0.149931 0.019633 0.025922 0.002877 -0.008744 -0.042612 0.002821 -0.005714 -0.152296 -0.456547 0.001599 -0.017829 0.013628 -0.047279 -0.062642 0.022143 0.585755 -0.323806 0.985861 -0.002659 -0.025810 0.003934 0.086130 -0.111771 -0.365641 -0.016634 -0.009959 0.014398 0.015962 0.087347 0.128953 -0.005183 -0.005402 0.028053 -0.036911 -0.048337 0.004241 -0.032668 0.049699 0.397971 0.013219 0.019592 -0.014762 0.040717 -0.079838 0.085479 -0.428296 0.081733 0.124373 -0.039157 0.070837 0.049152 -0.222146 -0.024160 0.492758 -0.011131 0.011719 -0.028971 -0.233126 0.000935 -0.155527 -0.026723 -0.009044 0.010185 0.083860 0.023162 0.007882 0.103703 0.190884 -0.470041 -0.021039 0.030697 0.010262 0.024995 0.011919 0.007953 0.362426 0.396524 1.209898 -0.013602 -0.010779 0.003487 0.261842 0.168462 -0.366417 -0.011205 0.008251 0.014132 0.266601 -0.089485 -0.232729 0.011991 0.012559 0.009226 0.045525 0.005224 0.057217 -0.140948 -0.046774 0.039241 0.016881 0.000487 -0.014455 -0.024350 -0.035114 -0.003437 0.076210 -0.001747 -0.041560 -0.017470 -0.001500 0.003473 -0.172473 0.050113 0.255459 0.027525 -0.134588 -0.643111 -0.019917 -0.000556 0.004662 -0.008168 0.045158 0.033290 0.002216 0.001322 0.038161 -0.114543 -0.030227 -0.134916 0.003477 0.018763 0.032399 0.011372 0.030567 0.099724 -0.216398 -0.030418 0.246753 0.013497 0.001093 -0.051306 0.089549 -0.029145 -0.343054 0.043398 0.004813 0.072113 -0.005888 0.004109 -0.021904 -0.010038 -0.000636 0.058211 0.179485 0.103899 0.315663 0.146592 0.187397 -0.195158 0.063715 0.131812 -0.134974 0.026197 0.005856 0.054631 0.003619 0.017979 -0.059085 -0.014090 -0.003440 0.031634 0.073909 0.022877 0.044843 0.007870 -0.027047 0.000150 0.003470 -0.025163 -0.001226 0.161464 0.014142 -0.595721 0.036634 -0.015746 -0.665844 -0.010839 0.043145 -0.022948 -0.004456 -0.011275 -0.003516 -0.004120 -0.008975 -0.010086 -0.009159 0.029169 0.068771 0.175619 -0.108886 -0.091288 0.004053 0.006810 -0.005347 -0.048029 0.038601 -0.070077 -0.174556 -0.041729 -0.152178 -0.001779 0.019575 0.007290 -0.153352 -0.077610 0.011825 -0.002979 0.010798 -0.000151 0.010680 -0.015869 0.024607 0.005728 0.001325 -0.003937 -0.069767 -0.164377 -0.220808 -0.594171 -0.186106 0.395929 -0.005511 -0.048135 -0.029317 0.041652 0.014316 0.114195 0.035394 0.002086 -0.014336 -0.021202 0.005145 -0.148447 0.004945 0.013567 -0.016621 -0.025462 -0.035965 -0.007567 -0.003117 -0.152815 -0.457452 0.008219 -0.007224 0.022519 -0.062141 -0.032282 0.016687 0.583742 -0.320519 0.985990 0.001377 -0.029139 0.019346 0.088385 -0.111692 -0.361416 -0.029004 -0.012655 0.003133 0.015977 0.087114 0.128839 0.003662 -0.005537 0.025968 -0.042355 -0.039695 0.010617 -0.034734 0.048867 0.400043 0.004618 0.014506 -0.018167 0.022869 -0.046380 0.093870 -0.427297 0.086692 0.125477 -0.045992 0.046443 0.040792 -0.217116 -0.024920 0.504165 -0.012953 0.002066 0.029683 -0.233665 0.000077 -0.156701 -0.033346 -0.013795 0.008583 0.028494 0.004017 0.124359 0.105237 0.191754 -0.471026 -0.033600 0.033618 0.020028 0.052714 0.035817 -0.007951 0.361652 0.390878 1.217149 -0.010143 -0.011277 0.022566 0.256037 0.168186 -0.356297 0.017016 0.001155 0.008813 0.266579 -0.089176 -0.234308 0.008285 0.018403 -0.025908 -0.044324 0.006231 0.027569 -0.142924 -0.046058 0.038419 0.010261 -0.001245 -0.010842 -0.006318 -0.016709 -0.003852 0.129345 0.020439 -0.289907 -0.004444 0.038752 0.018002 -0.172785 0.051094 0.259635 0.038379 -0.124511 -0.648523 0.000407 0.008728 0.025446 0.118672 -0.045209 0.008956 0.017082 0.007942 0.063530 -0.112673 -0.030909 -0.111712 0.025856 0.051544 0.045320 0.023736 0.045697 0.144953 -0.217653 -0.032487 0.246149 0.048091 -0.023302 -0.098075 0.090964 -0.027277 -0.309241 0.194836 -0.041546 0.003857 -0.027849 -0.004701 -0.084838 -0.028547 0.000113 0.021905 0.180898 0.103533 0.316407 0.143456 0.186210 -0.192022 0.072017 0.124268 -0.131751 0.010862 0.012022 0.077242 -0.024193 0.020581 -0.142689 -0.066990 -0.011988 0.022402 0.064788 0.002438 0.042151 0.011537 0.012010 0.014814 0.018786 -0.000922 -0.011089 0.161333 0.013001 -0.598423 0.034713 -0.015413 -0.672730 -0.020380 0.047457 -0.007154 0.021524 0.013964 -0.035084 -0.022340 -0.037612 0.006055 -0.025367 0.010221 0.084483 0.175324 -0.108884 -0.088210 0.023556 0.001545 -0.054704 -0.047136 0.040883 -0.069370 -0.174027 -0.044365 -0.146576 -0.033188 -0.086774 0.018689 -0.164696 -0.084271 0.021501 0.003152 0.023208 0.109264 -0.065093 -0.012260 0.075757 0.081949 -0.006105 0.005692 -0.072220 -0.162444 -0.212399 -0.591218 -0.188818 0.414547 0.026928 -0.064507 -0.036762 0.039175 0.012763 0.117299 0.043166 0.009927 -0.049645 -0.023926 0.006863 -0.145071 -0.028648 -0.001637 -0.047986 -0.068918 -0.020021 -0.037566 -0.001225 -0.154446 -0.460174 0.025889 0.013551 0.037237 -0.103366 0.024123 0.002490 0.579237 -0.315024 0.989475 0.014006 -0.032938 0.043217 0.092874 -0.111198 -0.355517 -0.053313 -0.015216 -0.019584 0.018050 0.083351 0.129201 0.022093 -0.006613 0.019159 -0.054746 -0.023943 0.024219 -0.035500 0.045895 0.404305 -0.015648 0.005037 -0.017086 -0.008260 0.028192 0.104632 -0.425709 0.096491 0.124677 -0.051886 0.011867 0.026359 -0.206830 -0.025271 0.524715 -0.010579 -0.020267 0.138015 -0.235061 -0.002419 -0.158695 -0.050128 -0.021032 0.004759 -0.078018 -0.035299 0.363262 0.107509 0.193292 -0.472820 -0.057556 0.039245 0.037849 0.099146 0.088728 -0.042430 0.360866 0.380049 1.232128 -0.003301 -0.012094 0.052942 0.244401 0.166750 -0.338243 0.067594 -0.020506 -0.001663 0.267153 -0.086144 -0.236446 0.004174 0.022502 -0.102058 -0.203918 0.013912 -0.020232 -0.145594 -0.043557 0.036977 -0.002573 -0.005912 -0.005851 0.031975 0.029658 -0.007353 0.095654 0.005624 -0.131937 -0.009119 0.010646 0.009988 -0.172474 0.050442 0.256669 0.031355 -0.131123 -0.645283 -0.013187 0.002830 0.011276 0.032661 0.006276 0.016903 0.007740 0.005239 0.047409 -0.114057 -0.030494 -0.126587 0.010854 0.030199 0.037004 0.016735 0.035798 0.113800 -0.216754 -0.031154 0.246040 0.025346 -0.008655 -0.068736 0.090008 -0.028620 -0.331021 0.099459 -0.011516 0.049049 -0.014250 0.001924 -0.043972 -0.016238 -0.000707 0.044603 0.179776 0.103966 0.315842 0.145482 0.187451 -0.194078 0.066905 0.129208 -0.133776 0.020928 0.008279 0.062764 -0.005748 0.018816 -0.087931 -0.033339 -0.005814 0.029210 0.070767 0.018164 0.043852 0.010054 -0.013084 0.006045 0.009187 -0.016118 -0.004875 0.161428 0.013817 -0.596656 0.035792 -0.015767 -0.669105 -0.014327 0.044650 -0.017519 0.004148 -0.001677 -0.016237 -0.010650 -0.019176 -0.004127 -0.014392 0.022100 0.073746 0.175345 -0.109063 -0.090291 0.010157 0.005532 -0.023585 -0.047762 0.039301 -0.069991 -0.174449 -0.042603 -0.150351 -0.012809 -0.019037 0.011268 -0.157886 -0.079977 0.015238 0.001159 0.015406 0.041213 -0.016353 -0.014451 0.042314 0.032219 -0.002341 -0.000275 -0.070763 -0.164180 -0.217898 -0.592747 -0.186727 0.401965 0.004336 -0.056183 -0.026362 0.041412 0.013291 0.114905 0.036617 0.005861 -0.025015 -0.022363 0.005631 -0.147631 -0.006990 0.008344 -0.024237 -0.039314 -0.026521 -0.018127 -0.002204 -0.153227 -0.458695 0.015213 0.000018 0.028088 -0.078828 -0.014785 0.010712 0.581435 -0.318871 0.986849 0.006066 -0.029457 0.024959 0.089499 -0.111980 -0.359686 -0.036922 -0.012325 -0.005191 0.016961 0.085382 0.128421 0.009127 -0.007853 0.022748 -0.047586 -0.035991 0.015635 -0.035259 0.047863 0.401217 -0.002219 0.010866 -0.017799 0.019276 -0.023975 0.099804 -0.426627 0.089789 0.125463 -0.046797 0.037223 0.035873 -0.213645 -0.024508 0.510936 -0.012402 -0.004645 0.066283 -0.234242 -0.000680 -0.157679 -0.037860 -0.018136 0.007965 -0.003477 -0.007955 0.217190 0.106959 0.192141 -0.471710 -0.041943 0.035432 0.025775 0.068828 0.054564 -0.019592 0.361339 0.387510 1.222688 -0.005966 -0.011746 0.030104 0.251948 0.168001 -0.350037 0.030772 -0.007293 0.009044 0.266808 -0.087749 -0.235277 0.004991 0.022399 -0.053276 -0.108891 0.013405 0.007499 -0.144933 -0.045187 0.037687 0.005688 -0.003246 -0.009157 0.005334 0.001214 -0.002343 0.019825 0.008285 0.268281 0.000681 0.010027 0.015523 -0.172409 0.050983 0.257961 0.032814 -0.128727 -0.648636 0.003547 0.005777 0.014996 0.046145 -0.002355 0.031826 0.007342 0.001293 0.039499 -0.111502 -0.032224 -0.116780 0.006598 0.020206 0.030531 0.012760 0.028597 0.079827 -0.217109 -0.031797 0.246994 0.026963 -0.019434 -0.061270 0.088383 -0.026426 -0.325655 0.082765 -0.019818 0.036157 -0.013401 0.002291 -0.043855 -0.020939 0.001021 0.028518 0.179938 0.103903 0.316632 0.143079 0.185463 -0.193047 0.068203 0.127878 -0.132628 0.004553 0.007894 0.052753 -0.013898 0.010709 -0.078450 -0.027258 -0.007627 0.024783 0.060516 0.005209 0.036890 0.013053 -0.007751 0.007835 0.010066 -0.001604 -0.002174 0.161180 0.013647 -0.596382 0.035027 -0.015765 -0.670963 -0.014882 0.042456 -0.013783 0.012664 0.000233 -0.014426 -0.011297 -0.017847 0.002638 -0.018963 0.015589 0.066379 0.175175 -0.109007 -0.090581 0.007906 0.004236 -0.027211 -0.047132 0.039687 -0.070730 -0.174169 -0.042921 -0.148927 -0.018058 -0.033712 0.014159 -0.158904 -0.077452 0.019893 0.004138 0.013094 0.051575 -0.025413 -0.011000 0.048324 0.028195 -0.000787 0.002924 -0.069863 -0.162231 -0.215699 -0.590821 -0.185627 0.402568 0.001247 -0.055775 -0.030722 0.041916 0.013377 0.119735 0.033185 0.010492 -0.018312 -0.023337 0.006430 -0.147456 -0.013780 0.000503 -0.022070 -0.038427 -0.017844 -0.015308 -0.000755 -0.152851 -0.460675 0.021868 0.010184 0.030702 -0.077064 -0.001827 0.011287 0.579865 -0.318819 0.987796 0.003439 -0.016131 0.030455 0.089796 -0.110917 -0.359218 -0.035650 -0.009281 -0.005607 0.017766 0.084852 0.127889 0.012974 -0.003736 0.011771 -0.033344 -0.020805 0.013746 -0.036423 0.047239 0.403191 -0.014043 0.006789 -0.015724 0.009140 0.007263 0.093449 -0.425961 0.090769 0.123437 -0.037230 0.028706 0.031035 -0.215186 -0.023308 0.516617 -0.011786 -0.009549 0.083105 -0.234588 -0.001768 -0.158004 -0.029992 -0.019163 0.001918 0.077290 -0.013924 -0.204427 0.107313 0.192000 -0.472788 -0.043007 0.028981 0.031299 0.062620 0.055485 -0.019978 0.360332 0.388415 1.227712 0.000585 -0.014239 0.032411 0.250823 0.167292 -0.350401 0.033476 -0.012830 0.007385 0.266803 -0.087028 -0.235819 0.001449 0.024949 -0.054693 -0.098901 0.001140 0.004187 -0.145377 -0.044605 0.036953 0.006053 -0.002267 -0.003468 0.011413 0.007434 0.002326 -0.020619 0.008718 0.481212 0.006681 0.010459 0.020363 -0.172321 0.051227 0.258580 0.033689 -0.127540 -0.650115 0.012536 0.008805 0.016300 0.048306 -0.012828 0.029079 0.006466 0.000962 0.035932 -0.110088 -0.033250 -0.111921 0.004546 0.015117 0.027008 0.009548 0.026094 0.061712 -0.217186 -0.032176 0.247375 0.027895 -0.024075 -0.059087 0.087574 -0.025492 -0.323371 0.078785 -0.021108 0.030771 -0.013165 0.002548 -0.043960 -0.022978 0.001757 0.019733 0.180213 0.103859 0.317026 0.141993 0.184290 -0.192724 0.068723 0.127179 -0.132155 -0.002988 0.008459 0.049086 -0.018296 0.006096 -0.073816 -0.024456 -0.008364 0.022570 0.054716 0.000805 0.034254 0.015649 -0.004476 0.009158 0.010651 0.005967 -0.000656 0.161135 0.013469 -0.595999 0.034703 -0.015763 -0.672003 -0.015036 0.041286 -0.011860 0.016263 0.002118 -0.015272 -0.011434 -0.017497 0.006090 -0.020775 0.011698 0.061240 0.175223 -0.109039 -0.090632 0.006692 0.003483 -0.028304 -0.046736 0.039815 -0.071108 -0.173944 -0.043129 -0.148262 -0.020353 -0.042211 0.015865 -0.159225 -0.076185 0.022245 0.005379 0.012119 0.057675 -0.028470 -0.010152 0.051257 0.025626 -0.000508 0.005091 -0.069346 -0.161257 -0.214595 -0.589070 -0.184882 0.402770 0.000951 -0.056870 -0.028264 0.042385 0.013482 0.122146 0.030851 0.011553 -0.015255 -0.023373 0.006602 -0.147360 -0.017228 -0.004611 -0.019593 -0.036894 -0.012032 -0.011493 -0.000477 -0.152670 -0.461064 0.025916 0.014510 0.032619 -0.076315 0.003775 0.012966 0.578218 -0.318835 0.988659 0.001467 -0.008506 0.030009 0.089880 -0.111059 -0.358996 -0.034413 -0.008251 -0.006698 0.017868 0.083680 0.127880 0.014235 -0.001744 0.006747 -0.028561 -0.016041 0.012765 -0.036315 0.046909 0.403800 -0.019458 0.004479 -0.014424 0.005716 0.017449 0.090757 -0.425357 0.091018 0.123579 -0.032234 0.025847 0.029021 -0.215870 -0.022870 0.518921 -0.011771 -0.010747 0.088780 -0.234403 -0.002141 -0.157934 -0.025962 -0.018143 -0.000640 0.121718 -0.014933 -0.422398 0.107660 0.191886 -0.472928 -0.045543 0.024296 0.033588 0.060298 0.056736 -0.019095 0.359798 0.388862 1.229971 0.003692 -0.015418 0.032327 0.250451 0.167339 -0.350266 0.033886 -0.015520 0.006898 0.266605 -0.085843 -0.235802 -0.000120 0.026280 -0.054933 -0.099187 -0.001852 -0.000461 -0.145528 -0.044420 0.036966 0.007089 -0.002002 -0.001298 0.013820 0.013408 0.003947 -0.015352 0.009668 0.451627 0.011107 0.010814 0.021216 -0.172158 0.051291 0.258731 0.033314 -0.126654 -0.651678 0.020335 0.009178 0.018163 0.047706 -0.020183 0.028457 0.005724 -0.000509 0.032291 -0.109011 -0.034398 -0.108227 0.000830 0.008449 0.018472 0.005863 0.023679 0.041531 -0.217187 -0.032249 0.247597 0.027121 -0.027957 -0.054795 0.086282 -0.024442 -0.322050 0.073763 -0.023204 0.023155 -0.011907 0.002329 -0.041505 -0.024214 0.001528 0.013021 0.179891 0.103897 0.316956 0.141062 0.184223 -0.192031 0.069083 0.126815 -0.131672 -0.008732 0.009006 0.043341 -0.021371 0.003000 -0.066530 -0.020423 -0.008582 0.020131 0.047505 -0.002781 0.030763 0.017713 -0.002822 0.010177 0.010511 0.011501 0.001144 0.160831 0.013405 -0.596622 0.034134 -0.015799 -0.673186 -0.014551 0.040083 -0.010885 0.019403 0.002718 -0.015528 -0.012454 -0.015837 0.008651 -0.022131 0.008451 0.056071 0.174866 -0.109129 -0.091125 0.005526 0.002396 -0.028059 -0.046665 0.039918 -0.071846 -0.173941 -0.043183 -0.147970 -0.022082 -0.046272 0.017594 -0.159567 -0.074600 0.024269 0.009036 0.011054 0.058610 -0.028825 -0.009195 0.052270 0.020353 0.000432 0.006594 -0.068900 -0.160662 -0.213577 -0.586495 -0.184416 0.402333 -0.001693 -0.060928 -0.025670 0.042287 0.014667 0.124116 0.028203 0.013628 -0.012222 -0.023707 0.006822 -0.147583 -0.020081 -0.007949 -0.015145 -0.034558 -0.006419 -0.008696 0.000491 -0.152410 -0.461314 0.026390 0.017634 0.034488 -0.076043 0.006830 0.015158 0.575740 -0.319120 0.985286 0.002884 -0.002893 0.034248 0.090008 -0.111062 -0.359221 -0.034186 -0.006926 -0.006107 0.018023 0.084626 0.127107 0.014666 -0.002738 0.002794 -0.023097 -0.011657 0.012175 -0.037099 0.046773 0.403477 -0.018532 0.002875 -0.013303 0.010423 0.024189 0.097190 -0.424907 0.091395 0.123325 -0.028464 0.028292 0.029306 -0.217068 -0.023376 0.520133 -0.012621 -0.010619 0.091291 -0.234662 -0.002458 -0.158464 -0.024635 -0.016062 0.000535 0.119027 -0.016609 -0.395375 0.108375 0.191799 -0.473595 -0.044114 0.020071 0.034634 0.056627 0.057500 -0.017391 0.358931 0.389708 1.233553 0.006283 -0.015819 0.029017 0.250329 0.167352 -0.351067 0.032137 -0.016786 0.005960 0.266491 -0.086674 -0.236385 -0.000795 0.030676 -0.052983 -0.092475 -0.003933 -0.000227 -0.146430 -0.044272 0.036383 0.007184 -0.002406 0.000842 0.014675 0.015319 0.007852 0.000454 0.012503 0.370900 0.027969 0.009623 0.025361 -0.172308 0.052153 0.260886 0.034228 -0.124095 -0.656186 0.040863 0.012512 0.024617 0.052541 -0.030937 0.039014 0.001234 -0.006830 0.016804 -0.105255 -0.037432 -0.095780 -0.007070 -0.008262 0.007017 -0.005920 0.018211 -0.009307 -0.217949 -0.033106 0.249997 0.025373 -0.040500 -0.037850 0.083961 -0.021289 -0.316466 0.052723 -0.027943 0.003387 -0.009382 0.005795 -0.033560 -0.029232 0.001535 -0.006938 0.180417 0.104387 0.318966 0.137510 0.181395 -0.190175 0.070249 0.125598 -0.129387 -0.029879 0.008383 0.023861 -0.029746 -0.009538 -0.041540 -0.006073 -0.009812 0.014580 0.028746 -0.017740 0.020959 0.022755 0.000514 0.012407 0.010215 0.028248 0.006315 0.160564 0.013226 -0.594905 0.033129 -0.015719 -0.675403 -0.014128 0.036567 -0.005698 0.028179 0.003058 -0.013451 -0.011120 -0.010730 0.018024 -0.028311 0.000423 0.044188 0.174885 -0.109151 -0.090971 0.000722 0.000160 -0.026678 -0.045589 0.040360 -0.072430 -0.173496 -0.043468 -0.145578 -0.027825 -0.058434 0.021203 -0.159971 -0.070188 0.031361 0.012700 0.007053 0.063013 -0.030633 -0.004600 0.056983 0.004371 0.004372 0.012098 -0.067493 -0.158230 -0.210542 -0.583772 -0.181937 0.401904 -0.007147 -0.053028 -0.032534 0.043760 0.013328 0.132750 0.012008 0.019539 -0.001054 -0.024915 0.007707 -0.147611 -0.027569 -0.015010 -0.008713 -0.028334 0.009038 0.000452 0.000742 -0.151655 -0.464774 0.038413 0.029583 0.040107 -0.068922 0.013419 0.013443 0.573407 -0.319994 0.988684 -0.001731 0.020617 0.033286 0.089582 -0.110030 -0.359732 -0.028861 -0.002187 -0.004468 0.019401 0.081345 0.126592 0.014749 0.000951 -0.011824 -0.000052 0.010447 0.012127 -0.036969 0.045916 0.406322 -0.035644 -0.004508 -0.008829 0.010009 0.060780 0.085654 -0.423577 0.091504 0.120607 -0.011654 0.011685 0.020079 -0.221263 -0.019489 0.527182 -0.009146 -0.017064 0.093098 -0.234840 -0.003591 -0.158310 -0.006548 -0.014824 -0.009864 0.094079 -0.024710 -0.329404 0.108893 0.191376 -0.474694 -0.037203 0.002873 0.038853 0.039600 0.059711 -0.010402 0.356873 0.392856 1.239166 0.013083 -0.020563 0.024150 0.250252 0.166827 -0.353663 0.030358 -0.022543 0.003770 0.266244 -0.082939 -0.236373 -0.006498 0.031250 -0.042933 -0.064445 -0.018910 -0.004020 -0.146889 -0.043256 0.035666 0.006889 -0.001147 0.011544 0.025231 0.018559 0.014672 0.030079 0.018733 0.203889 0.060393 0.008362 0.030667 -0.171466 0.053566 0.263955 0.036222 -0.118814 -0.665828 0.078875 0.016425 0.032618 0.061113 -0.054934 0.056130 -0.002916 -0.013790 -0.006114 -0.097376 -0.043970 -0.071901 -0.023525 -0.042226 -0.018968 -0.026903 -0.000969 -0.127482 -0.218358 -0.034729 0.254284 0.021014 -0.063185 -0.009720 0.078271 -0.014876 -0.306446 0.018025 -0.038071 -0.032733 -0.003058 0.009894 -0.018319 -0.038282 0.002695 -0.045806 0.180390 0.103875 0.321315 0.131384 0.174980 -0.185791 0.072256 0.123079 -0.124999 -0.070007 0.008788 -0.012952 -0.047632 -0.035811 0.009336 0.022197 -0.012051 0.003920 -0.003867 -0.043198 0.006326 0.036691 0.010815 0.016070 0.009209 0.064048 0.016212 0.159718 0.012742 -0.592966 0.030970 -0.015764 -0.679996 -0.013198 0.029374 0.003036 0.046312 0.004006 -0.010255 -0.009512 -0.001143 0.036716 -0.038511 -0.016098 0.017642 0.174256 -0.108973 -0.091676 -0.009168 -0.003026 -0.022596 -0.043893 0.041016 -0.074322 -0.172562 -0.043993 -0.141693 -0.036946 -0.084912 0.029367 -0.160621 -0.061183 0.044987 0.022265 -0.000025 0.074970 -0.034008 0.005593 0.063701 -0.029402 0.015321 0.021963 -0.064430 -0.153088 -0.204340 -0.574591 -0.177849 0.400176 -0.023348 -0.044579 -0.020501 0.045257 0.014532 0.147304 -0.016796 0.028531 0.026942 -0.027383 0.009864 -0.148352 -0.040925 -0.033421 0.006523 -0.014369 0.043790 0.020210 0.007801 -0.150193 -0.469460 0.052044 0.051408 0.041780 -0.055837 0.028438 0.016818 0.564949 -0.321426 0.989071 -0.013736 0.066433 0.035105 0.089429 -0.108544 -0.362023 -0.016581 0.005933 -0.004563 0.022255 0.080161 0.123517 0.018961 0.012610 -0.041558 0.040409 0.051806 0.010461 -0.042744 0.043909 0.409121 -0.061603 -0.019456 0.001401 0.020094 0.111154 0.062857 -0.420889 0.092292 0.115338 0.012011 0.000285 0.010817 -0.229122 -0.015951 0.538678 -0.003624 -0.025457 0.095387 -0.235514 -0.006251 -0.159395 0.029954 -0.017162 -0.022043 0.054516 -0.042792 -0.179703 0.110564 0.190749 -0.478053 -0.026797 -0.030240 0.043397 0.008332 0.059457 -0.000084 0.352888 0.398655 1.248139 0.029162 -0.027977 0.019744 0.250558 0.165892 -0.358836 0.022631 -0.034582 0.005472 0.266179 -0.080996 -0.238352 -0.016565 0.032802 -0.024160 -0.036002 -0.043046 -0.016736 -0.148405 -0.041253 0.033247 0.012569 0.003556 0.029073 0.040272 0.030442 0.031043 0.071462 0.019356 -0.018769 0.054726 0.011650 0.024770 -0.170782 0.053277 0.263424 0.034322 -0.120110 -0.666009 0.061300 0.011437 0.024786 0.051367 -0.042850 0.072976 -0.000767 -0.013450 -0.002890 -0.098369 -0.045469 -0.076515 -0.016870 -0.028132 -0.014668 -0.024252 0.000352 -0.099093 -0.217595 -0.035045 0.254851 0.018537 -0.052531 -0.007221 0.079345 -0.015124 -0.305557 0.016651 -0.036489 -0.029832 -0.002951 0.007786 -0.016072 -0.035412 0.002349 -0.039240 0.179451 0.104484 0.321091 0.131523 0.175913 -0.182765 0.072505 0.123331 -0.122578 -0.057506 0.007951 -0.013464 -0.043298 -0.031316 0.009266 0.017881 -0.010998 0.005638 -0.000618 -0.038481 0.005901 0.035394 0.008004 0.014667 0.007498 0.051774 0.013651 0.159584 0.012394 -0.593057 0.030504 -0.015798 -0.680833 -0.011821 0.030750 0.003171 0.039128 0.000650 -0.009047 -0.008660 -0.001159 0.034327 -0.039429 -0.013678 0.021421 0.173850 -0.109580 -0.091788 -0.006266 -0.002744 -0.019187 -0.043332 0.041015 -0.075077 -0.172290 -0.044510 -0.142096 -0.033941 -0.073569 0.027557 -0.160912 -0.062409 0.044418 0.021303 0.000267 0.064872 -0.031406 0.007397 0.060855 -0.026361 0.016563 0.020793 -0.065273 -0.154863 -0.204579 -0.574991 -0.179011 0.400110 -0.021451 -0.043315 -0.035776 0.044402 0.010532 0.148167 -0.019295 0.030240 0.024981 -0.027664 0.009973 -0.148931 -0.036743 -0.031266 0.001206 -0.018859 0.045297 0.015456 0.011427 -0.150249 -0.472607 0.050233 0.047669 0.048535 -0.063115 0.022878 0.013485 0.565390 -0.321631 0.989007 -0.011853 0.065129 0.038288 0.089688 -0.109139 -0.363294 -0.016225 0.005492 -0.005397 0.022643 0.077633 0.121744 0.017781 0.007863 -0.039663 0.039890 0.049877 0.011136 -0.046344 0.043903 0.408682 -0.060510 -0.018050 0.001420 0.033594 0.104316 0.062410 -0.420713 0.092637 0.115850 0.012486 -0.000712 0.010018 -0.229371 -0.012721 0.537828 -0.002993 -0.027365 0.090463 -0.236033 -0.006937 -0.160545 0.028842 -0.016472 -0.021875 0.008411 -0.047865 0.041900 0.114501 0.190276 -0.478973 -0.031854 -0.031193 0.042453 0.010151 0.061036 0.000186 0.352134 0.397854 1.246199 0.027668 -0.029129 0.020640 0.250789 0.165771 -0.359399 0.027706 -0.035814 0.001491 0.266621 -0.079108 -0.239679 -0.016447 0.030771 -0.021984 -0.029422 -0.044307 -0.012156 -0.152345 -0.041725 0.032282 0.013798 0.002128 0.027168 0.039848 0.026341 0.031071 0.134716 0.021545 -0.365926 0.045087 0.015437 0.019410 -0.174077 0.053616 0.263775 0.031053 -0.121180 -0.667210 0.039083 0.006233 0.014691 0.022731 -0.041056 0.059690 0.001824 -0.013153 0.003921 -0.100176 -0.046807 -0.083286 -0.005185 -0.006611 -0.008049 -0.021531 -0.008221 -0.056992 -0.220468 -0.034819 0.256003 0.011877 -0.033854 -0.008431 0.079897 -0.014425 -0.305942 0.017356 -0.030612 -0.025069 -0.003038 0.006886 -0.010131 -0.029265 0.003092 -0.026972 0.183584 0.104645 0.321306 0.132723 0.176219 -0.186057 0.072099 0.124603 -0.124116 -0.038719 0.006678 -0.012164 -0.038376 -0.023217 0.008644 0.008093 -0.008964 0.008148 -0.003324 -0.028717 0.004320 0.034832 0.006029 0.014371 0.004056 0.035807 0.010797 0.160107 0.012513 -0.593792 0.030882 -0.015330 -0.679479 -0.009153 0.032738 0.001721 0.027940 0.000001 -0.011400 -0.005969 -0.000471 0.031587 -0.035299 -0.010735 0.023502 0.176326 -0.109701 -0.090828 -0.001883 -0.002184 -0.013350 -0.043132 0.041377 -0.075766 -0.172522 -0.044493 -0.141450 -0.026817 -0.058461 0.026942 -0.160819 -0.062863 0.042640 0.022508 0.003179 0.050537 -0.023868 0.008830 0.056906 -0.020461 0.016072 0.019683 -0.065779 -0.156413 -0.207584 -0.573664 -0.181503 0.402831 -0.016982 -0.037909 -0.035645 0.041874 0.008137 0.152060 -0.018661 0.024897 0.013959 -0.026294 0.010857 -0.147480 -0.022807 -0.018549 -0.004541 -0.022812 0.046564 0.007936 -0.000739 -0.150932 -0.473960 0.044441 0.031662 0.042982 -0.051839 0.006396 0.012021 0.563495 -0.320765 0.990753 -0.004836 0.048693 0.036431 0.091479 -0.109058 -0.364296 -0.014358 0.004969 -0.004963 0.021481 0.081303 0.125322 0.008095 -0.004151 -0.024661 0.031016 0.037418 0.008064 -0.033912 0.043963 0.409266 -0.055071 -0.012213 0.000839 0.045719 0.088120 0.060426 -0.419941 0.094178 0.115567 0.010051 0.000215 0.009816 -0.228451 -0.009982 0.535324 -0.001148 -0.021002 0.068652 -0.234899 -0.007365 -0.158652 0.019976 -0.018289 -0.014218 -0.065344 -0.045814 0.394366 0.099427 0.191410 -0.478240 -0.025784 -0.020748 0.032309 0.015402 0.051933 0.003781 0.350448 0.397057 1.249786 0.018662 -0.027337 0.015509 0.250822 0.165960 -0.359155 0.028758 -0.031779 -0.000025 0.265696 -0.082633 -0.236765 -0.012824 0.024799 -0.014130 -0.017564 -0.036049 -0.000915 -0.137302 -0.041174 0.033910 0.008501 -0.000518 0.022150 0.032979 0.016026 0.028986 0.128669 0.019450 -0.338833 0.039301 0.015796 0.017831 -0.172145 0.053779 0.263156 0.029714 -0.121746 -0.666648 0.029530 0.004882 0.011551 0.018422 -0.030494 0.070240 0.003128 -0.013000 0.006548 -0.100891 -0.048000 -0.086713 -0.000799 0.000926 -0.007290 -0.021283 -0.007691 -0.041310 -0.218559 -0.035019 0.256009 0.008809 -0.026361 -0.006921 0.079931 -0.014108 -0.305272 0.010726 -0.029536 -0.020404 -0.002587 0.005376 -0.007791 -0.026738 0.002955 -0.021468 0.181136 0.104682 0.320023 0.133621 0.177136 -0.182036 0.072800 0.124941 -0.121017 -0.030878 0.006661 -0.011024 -0.034894 -0.019199 0.007630 0.004697 -0.008506 0.008075 0.002064 -0.022973 0.006040 0.034677 0.004774 0.013619 0.002697 0.027495 0.008204 0.159881 0.012615 -0.593259 0.030225 -0.015413 -0.680124 -0.008290 0.033806 0.001750 0.022715 -0.002033 -0.011599 -0.006007 -0.000083 0.029737 -0.034383 -0.009188 0.023813 0.174923 -0.109595 -0.091379 0.000123 -0.002130 -0.011586 -0.042864 0.041420 -0.076578 -0.172165 -0.044594 -0.141870 -0.023100 -0.051791 0.024727 -0.161196 -0.063410 0.042785 0.022754 0.003470 0.043564 -0.021851 0.010408 0.054071 -0.017779 0.017779 0.018593 -0.066035 -0.157366 -0.206896 -0.572370 -0.182594 0.404183 -0.016295 -0.037901 -0.044376 0.040455 0.008478 0.153671 -0.019556 0.022578 0.012292 -0.027293 0.010739 -0.147615 -0.018524 -0.015835 -0.005986 -0.025325 0.045870 0.003185 0.007359 -0.150777 -0.473737 0.039825 0.027133 0.040263 -0.052693 0.000375 0.011297 0.562340 -0.320660 0.990577 -0.003077 0.043185 0.037439 0.092310 -0.109456 -0.364505 -0.013688 0.005133 -0.004819 0.022578 0.078025 0.123001 0.006278 -0.008137 -0.021363 0.028785 0.035850 0.007367 -0.041509 0.043975 0.409238 -0.050523 -0.010401 0.000124 0.051898 0.074700 0.056593 -0.419474 0.094925 0.116665 0.009894 0.001178 0.007361 -0.228638 -0.010150 0.534863 -0.000369 -0.018559 0.063871 -0.235904 -0.007288 -0.159531 0.018252 -0.018334 -0.011716 -0.057168 -0.046820 0.372545 0.108996 0.191210 -0.478633 -0.027483 -0.019285 0.029202 0.016919 0.049749 0.003610 0.349346 0.396654 1.248429 0.016649 -0.027166 0.015774 0.251388 0.166353 -0.358894 0.030511 -0.031262 -0.001679 0.266848 -0.079327 -0.238707 -0.011981 0.022498 -0.011189 -0.021409 -0.035838 0.001964 -0.146921 -0.041186 0.033138 0.009768 -0.001057 0.020614 0.031700 0.017309 0.027536 0.109409 0.014637 -0.250002 0.025710 0.016222 0.009826 -0.172076 0.053997 0.262773 0.024597 -0.123296 -0.666301 -0.001275 -0.001499 0.002130 -0.003089 -0.005332 0.085511 0.006424 -0.012014 0.015536 -0.103199 -0.050594 -0.095639 0.010792 0.022609 0.000586 -0.017292 -0.010010 0.008137 -0.218227 -0.034866 0.257058 0.000400 -0.002925 -0.005433 0.080535 -0.012960 -0.303925 -0.009514 -0.024697 -0.005725 -0.002410 0.001439 -0.000814 -0.019185 0.003891 -0.003869 0.180500 0.105576 0.318740 0.135357 0.179540 -0.178621 0.073846 0.126299 -0.117260 -0.005888 0.005934 -0.008367 -0.024769 -0.007626 0.005409 -0.006233 -0.006286 0.009378 0.009232 -0.009358 0.006554 0.033036 0.000868 0.012399 -0.001512 0.005010 0.002815 0.159884 0.012737 -0.592323 0.029413 -0.015128 -0.679731 -0.004890 0.036701 0.001674 0.008682 -0.006358 -0.010986 -0.005299 0.001341 0.025728 -0.031219 -0.005227 0.027353 0.174648 -0.109971 -0.091234 0.005941 -0.002414 -0.004255 -0.042437 0.041808 -0.078071 -0.171949 -0.044722 -0.141608 -0.013224 -0.031195 0.021956 -0.161950 -0.064720 0.042089 0.023098 0.005494 0.021382 -0.014424 0.013746 0.044709 -0.010772 0.020080 0.017179 -0.067067 -0.160206 -0.207476 -0.569646 -0.186013 0.408716 -0.012483 -0.033300 -0.060684 0.036810 0.005938 0.159650 -0.019691 0.014761 -0.000095 -0.027699 0.010768 -0.146689 -0.000101 0.001717 -0.014036 -0.027901 0.039235 -0.009626 0.008680 -0.150895 -0.475432 0.023321 0.006371 0.031341 -0.040746 -0.018009 0.009325 0.559287 -0.319986 0.989486 0.004401 0.022981 0.038031 0.094606 -0.109886 -0.365430 -0.012977 0.005534 -0.003981 0.023032 0.075032 0.122771 -0.003737 -0.020944 -0.003895 0.018148 0.023410 0.004982 -0.042071 0.044278 0.409470 -0.034019 -0.003544 -0.001449 0.062924 0.043993 0.050977 -0.418441 0.097120 0.116003 0.008231 0.002051 0.008610 -0.228214 -0.007258 0.532934 0.001195 -0.008817 0.038467 -0.236672 -0.007135 -0.159269 0.008771 -0.019148 -0.001504 -0.030791 -0.038142 0.280911 0.113251 0.191625 -0.478214 -0.021281 -0.007432 0.017416 0.021241 0.035166 0.005468 0.346450 0.395760 1.247742 0.004350 -0.025544 0.010622 0.251967 0.167011 -0.358155 0.031389 -0.025136 -0.004290 0.267574 -0.076226 -0.238816 -0.006245 0.015601 -0.001664 -0.010191 -0.028128 0.014978 -0.151612 -0.041057 0.033461 0.005289 -0.003569 0.012358 0.019997 0.005292 0.022228 0.071362 0.005424 -0.069154 -0.000993 0.022367 -0.008551 -0.173093 0.054789 0.262132 0.016290 -0.126715 -0.666790 -0.058931 -0.015450 -0.018377 -0.047925 0.049087 0.122309 0.014371 -0.007432 0.032147 -0.107805 -0.055746 -0.113789 0.034136 0.069583 0.015546 -0.014001 -0.013198 0.115477 -0.218604 -0.035472 0.259677 -0.017292 0.044813 -0.000720 0.082135 -0.011262 -0.302538 -0.052305 -0.015119 0.025895 -0.001411 -0.003455 0.012103 -0.002096 0.004221 0.030764 0.181446 0.105470 0.316838 0.138514 0.180344 -0.174850 0.074246 0.128768 -0.112091 0.043794 0.000541 -0.003851 -0.004828 0.010608 0.001421 -0.026878 -0.002110 0.011200 0.025314 0.019357 0.007732 0.029586 -0.007759 0.008470 -0.009714 -0.040443 -0.007778 0.159837 0.012729 -0.591678 0.028370 -0.014550 -0.678489 0.000591 0.042296 0.000907 -0.020113 -0.015003 -0.009850 0.000108 0.002626 0.016854 -0.026983 0.002262 0.033977 0.175212 -0.110011 -0.090505 0.017130 -0.001257 0.010234 -0.041568 0.042278 -0.080561 -0.171698 -0.045196 -0.141181 0.005423 0.011283 0.016118 -0.162764 -0.067495 0.039929 0.022166 0.014335 -0.022459 0.002889 0.023307 0.025236 0.003052 0.023864 0.012658 -0.069235 -0.164513 -0.209480 -0.565163 -0.193006 0.415051 -0.002890 -0.027494 -0.100292 0.029499 0.000376 0.168963 -0.022009 0.003659 -0.022118 -0.027839 0.012650 -0.144961 0.033336 0.027769 -0.030777 -0.037342 0.027835 -0.036307 0.010262 -0.151654 -0.479797 0.009808 -0.028616 0.019468 -0.024073 -0.057004 0.006516 0.553092 -0.318427 0.994255 0.012007 -0.010421 0.033482 0.098905 -0.110382 -0.368733 -0.011371 0.007110 -0.001601 0.023042 0.073949 0.122783 -0.023107 -0.041174 0.027452 0.000458 0.005522 0.002173 -0.043119 0.044476 0.410226 -0.022821 0.006705 -0.004811 0.095370 -0.013522 0.044788 -0.416532 0.100893 0.116674 0.005726 0.006683 0.007792 -0.227999 -0.001495 0.527915 0.003334 0.005537 -0.008508 -0.237522 -0.008960 -0.158826 -0.007631 -0.019024 0.012978 0.020481 -0.030855 0.093203 0.108833 0.192607 -0.478788 -0.019264 0.013129 -0.005656 0.032197 0.016624 0.013683 0.341020 0.393794 1.245397 -0.017995 -0.020294 0.007275 0.253471 0.167304 -0.358445 0.035885 -0.020915 -0.013655 0.268239 -0.075282 -0.239069 0.001613 -0.001588 0.015294 0.012691 -0.022743 0.043028 -0.147835 -0.040859 0.033453 0.004462 -0.009521 0.002080 0.003044 -0.021553 0.013478 0.052342 0.004763 0.029460 -0.002011 0.020504 -0.009155 -0.173466 0.055149 0.262239 0.016098 -0.126349 -0.667365 -0.048400 -0.013910 -0.015064 -0.039733 0.042623 0.120458 0.014255 -0.005120 0.029404 -0.107299 -0.055369 -0.110878 0.022994 0.049322 0.014205 -0.012827 -0.008349 0.097711 -0.219030 -0.035400 0.259741 -0.015957 0.038559 -0.000745 0.082512 -0.010987 -0.303007 -0.045590 -0.014338 0.024411 0.000255 -0.002354 0.012688 -0.000501 0.004479 0.028581 0.181873 0.105904 0.317199 0.137794 0.180496 -0.176980 0.074337 0.128710 -0.112754 0.037093 0.000449 -0.002909 -0.004563 0.009760 0.004189 -0.018787 -0.003012 0.010836 0.024950 0.019146 0.006618 0.027168 -0.006411 0.007794 -0.008688 -0.036146 -0.006539 0.159726 0.012919 -0.591450 0.028140 -0.014380 -0.678542 0.000189 0.042130 0.001448 -0.015210 -0.016987 -0.008937 0.000251 0.004054 0.015691 -0.029034 0.001321 0.031559 0.175436 -0.109868 -0.090290 0.014877 -0.000839 0.009138 -0.041407 0.042402 -0.080391 -0.171711 -0.044816 -0.141094 0.005911 0.011148 0.015338 -0.162711 -0.067073 0.041056 0.019541 0.014942 -0.021133 0.004423 0.021672 0.022421 0.000989 0.022498 0.011967 -0.069411 -0.163968 -0.208611 -0.564387 -0.192064 0.414919 -0.005938 -0.026963 -0.097977 0.030113 0.000619 0.168254 -0.021759 0.002081 -0.019808 -0.027467 0.012894 -0.145501 0.032144 0.028253 -0.028456 -0.037034 0.033764 -0.031315 0.007885 -0.151416 -0.479851 0.010139 -0.029523 0.017526 -0.030165 -0.055098 0.008873 0.551838 -0.318350 0.995528 0.011120 -0.012645 0.033679 0.098650 -0.110239 -0.368834 -0.010610 0.006277 -0.000648 0.022691 0.073845 0.122842 -0.023606 -0.036521 0.028637 0.000572 0.004649 0.002250 -0.040735 0.044650 0.410326 -0.022163 0.007056 -0.004963 0.094227 -0.013942 0.046225 -0.416881 0.100523 0.115891 0.003548 0.006703 0.010846 -0.228083 -0.001452 0.527704 0.001443 0.006571 -0.013541 -0.237321 -0.008713 -0.158659 -0.008704 -0.019399 0.013932 0.038004 -0.032313 0.002764 0.105822 0.193027 -0.479037 -0.017083 0.016607 -0.008432 0.030230 0.013970 0.015692 0.342213 0.395432 1.244733 -0.018266 -0.017040 0.009896 0.253505 0.167703 -0.358325 0.031683 -0.019335 -0.011323 0.268035 -0.074521 -0.239096 0.003857 0.001301 0.015472 0.013833 -0.021386 0.043657 -0.145075 -0.040630 0.033403 0.006549 -0.008737 0.001960 0.002359 -0.022914 0.012452 -0.006144 0.002669 0.344752 -0.003481 0.019377 -0.010811 -0.173346 0.055058 0.262683 0.013892 -0.125973 -0.667669 -0.028555 -0.009579 -0.003464 -0.007922 0.031093 0.117091 0.011021 -0.002696 0.022785 -0.105911 -0.056080 -0.102617 -0.002742 -0.006500 0.015568 -0.009998 0.005537 0.044909 -0.219287 -0.035717 0.260977 -0.013216 0.019168 -0.000822 0.083873 -0.010747 -0.302909 -0.028039 -0.014042 0.020532 0.005886 -0.001625 0.015288 0.002713 0.004769 0.023455 0.181602 0.106667 0.318228 0.135945 0.181993 -0.179649 0.075394 0.127528 -0.112417 0.018107 -0.000475 0.001593 -0.004124 0.008271 0.013361 0.001252 -0.005983 0.008607 0.024274 0.019307 0.005383 0.023138 -0.002686 0.005332 -0.005611 -0.024443 -0.003126 0.159322 0.012457 -0.590532 0.027467 -0.014515 -0.679066 0.000641 0.041497 0.004152 -0.000584 -0.023112 -0.002391 -0.000831 0.008317 0.013987 -0.032970 -0.001609 0.027595 0.175396 -0.110365 -0.089506 0.007589 -0.000003 0.006244 -0.040712 0.042071 -0.080226 -0.171262 -0.044693 -0.140444 0.007702 0.010702 0.013574 -0.162555 -0.067143 0.045051 0.011793 0.014216 -0.015557 0.007325 0.017665 0.013303 -0.006089 0.015677 0.006725 -0.070030 -0.163592 -0.203337 -0.563497 -0.189491 0.413013 -0.013616 -0.028793 -0.083977 0.034315 -0.001680 0.165263 -0.012263 0.000155 -0.003827 -0.027852 0.012768 -0.147339 0.016488 0.020452 -0.022609 -0.034479 0.040501 -0.016023 0.008666 -0.151173 -0.483634 0.018780 -0.019465 0.015099 -0.044960 -0.040435 0.009827 0.549779 -0.319939 0.996968 0.006139 -0.012782 0.034935 0.095321 -0.111201 -0.370138 -0.013366 0.003905 0.001178 0.023355 0.070813 0.122013 -0.015054 -0.017473 0.023830 0.004622 0.002345 0.002813 -0.040595 0.044436 0.409624 -0.025809 0.005850 -0.008330 0.074448 -0.002936 0.052981 -0.418524 0.097881 0.114307 0.000084 0.009055 0.021600 -0.228450 0.000405 0.528137 -0.002417 0.004707 -0.009826 -0.237864 -0.008912 -0.159158 -0.005886 -0.012232 0.004355 0.097906 -0.033929 -0.317674 0.107536 0.192675 -0.479950 -0.007007 0.014699 -0.007800 0.023478 0.011365 0.018225 0.345442 0.400163 1.245043 -0.013911 -0.007549 0.012000 0.254158 0.167995 -0.358679 0.014241 -0.017558 -0.003991 0.268600 -0.071270 -0.239660 0.008827 0.015969 0.012733 0.006937 -0.019411 0.036407 -0.146390 -0.040642 0.033045 0.012717 -0.005983 0.000861 -0.000826 -0.025748 0.011725 0.000526 0.002178 0.304870 -0.001873 0.021603 -0.010780 -0.171833 0.055554 0.262927 0.015028 -0.125923 -0.667418 -0.023569 -0.008039 -0.000725 0.010518 0.041469 0.140058 0.008863 -0.001838 0.020671 -0.105564 -0.056209 -0.100881 -0.008131 -0.016288 0.015052 -0.010185 0.010450 0.034286 -0.218057 -0.036445 0.261942 -0.013082 0.015673 0.002977 0.083821 -0.010643 -0.302267 -0.027877 -0.016462 0.017887 0.006367 -0.000555 0.015829 0.002384 0.005225 0.022635 0.180244 0.105317 0.318055 0.135910 0.180704 -0.177939 0.075467 0.127216 -0.111209 0.014394 -0.001535 0.002871 -0.004296 0.006883 0.014425 0.006200 -0.007262 0.006836 0.026111 0.016445 0.005875 0.021418 -0.002522 0.003575 -0.004823 -0.021737 -0.002292 0.158980 0.012460 -0.590988 0.027157 -0.014677 -0.679422 -0.000389 0.041319 0.005170 0.002568 -0.026087 -0.000710 0.000853 0.008140 0.014764 -0.036348 -0.002243 0.026954 0.174587 -0.109750 -0.089455 0.006521 0.000595 0.005477 -0.040695 0.041912 -0.079720 -0.171007 -0.044665 -0.140328 0.007104 0.011449 0.013147 -0.162339 -0.067166 0.046242 0.010605 0.013521 -0.014535 0.006085 0.016884 0.011727 -0.005503 0.016887 0.005449 -0.069914 -0.163095 -0.201702 -0.561679 -0.189257 0.412591 -0.017240 -0.030339 -0.099346 0.034854 -0.000402 0.164470 -0.010793 -0.001024 -0.000575 -0.028496 0.013508 -0.147825 0.012594 0.016571 -0.019880 -0.035964 0.036464 -0.012057 0.017399 -0.150886 -0.482575 0.023155 -0.016692 0.011156 -0.054063 -0.037917 0.012266 0.547399 -0.320009 0.999730 0.003734 -0.013112 0.030448 0.095070 -0.111391 -0.371102 -0.012364 0.002932 0.001116 0.024044 0.070768 0.120082 -0.012814 -0.014013 0.021678 0.006822 0.001111 0.003200 -0.049143 0.044228 0.409522 -0.029967 0.005484 -0.007531 0.068896 0.002945 0.049074 -0.418563 0.097665 0.114441 -0.001248 0.010451 0.019708 -0.228611 -0.000996 0.528095 -0.003119 0.005241 -0.010289 -0.238358 -0.009695 -0.159906 -0.005003 -0.009469 0.002625 0.084118 -0.036739 -0.275732 0.110418 0.192525 -0.480373 -0.004637 0.013970 -0.008493 0.020334 0.009965 0.018587 0.345804 0.401063 1.246738 -0.011676 -0.004582 0.010479 0.254494 0.168074 -0.358954 0.010553 -0.015786 -0.003197 0.269078 -0.071124 -0.241250 0.009686 0.018466 0.011513 0.016293 -0.019726 0.037172 -0.149077 -0.040524 0.032260 0.014053 -0.004535 0.000483 -0.002211 -0.031955 0.012320 0.020923 0.001788 0.185413 -0.002263 0.022682 -0.014439 -0.172604 0.055206 0.263221 0.013030 -0.125526 -0.668248 -0.011523 -0.005313 0.003977 0.024297 0.024779 0.129634 0.005593 -0.000109 0.016549 -0.104341 -0.056431 -0.095130 -0.019017 -0.041618 0.015520 -0.008244 0.016426 0.001847 -0.218906 -0.036087 0.262637 -0.010984 0.004004 0.000325 0.084766 -0.010531 -0.302759 -0.005256 -0.015268 0.010798 0.008837 -0.000547 0.016279 0.004260 0.005350 0.018414 0.181187 0.106431 0.318863 0.134684 0.182132 -0.180431 0.076022 0.126657 -0.111936 0.002320 0.000137 0.005543 -0.005114 0.005213 0.019267 0.017489 -0.008957 0.005960 0.022321 0.015918 0.004202 0.019446 0.000842 0.002124 -0.002799 -0.012599 0.000399 0.158940 0.012234 -0.590315 0.026946 -0.014533 -0.679478 0.000482 0.040712 0.006283 0.010707 -0.028994 0.001976 -0.000568 0.010250 0.013624 -0.038533 -0.004205 0.022985 0.175294 -0.110373 -0.088926 0.002811 0.000644 0.003631 -0.040250 0.041831 -0.079712 -0.170714 -0.044456 -0.139863 0.007032 0.009489 0.013037 -0.162314 -0.066819 0.048117 0.005564 0.011093 -0.008633 0.008581 0.012441 0.007594 -0.009400 0.013455 0.004340 -0.070175 -0.163205 -0.199745 -0.560274 -0.187358 0.411723 -0.022999 -0.029210 -0.087977 0.037388 -0.001038 0.162896 -0.007323 -0.002122 0.007460 -0.027909 0.013341 -0.148987 0.004967 0.011426 -0.017476 -0.034889 0.048500 -0.003651 0.012602 -0.150796 -0.484541 0.027336 -0.010424 0.010356 -0.064915 -0.033147 0.014390 0.545483 -0.320535 0.999278 0.000528 -0.011988 0.032995 0.093270 -0.111638 -0.371840 -0.014083 0.001868 0.001549 0.023731 0.069491 0.120883 -0.009925 -0.006223 0.019751 0.009956 0.000678 0.003617 -0.043464 0.044200 0.408792 -0.032475 0.003942 -0.009665 0.064084 0.008785 0.059379 -0.419235 0.096167 0.113194 -0.002968 0.011049 0.025015 -0.228277 -0.000314 0.528637 -0.003795 0.004221 -0.008085 -0.237964 -0.009544 -0.159718 -0.003576 -0.008441 -0.003937 0.052889 -0.039160 -0.148377 0.108062 0.192538 -0.480635 -0.000838 0.012559 -0.007668 0.018047 0.011127 0.019208 0.347526 0.403131 1.246441 -0.008561 -0.000210 0.011957 0.254516 0.168193 -0.359099 0.003060 -0.015597 -0.000090 0.268869 -0.069639 -0.240682 0.011857 0.027053 0.010454 0.012293 -0.020680 0.034537 -0.146348 -0.040409 0.032527 0.017898 -0.002218 0.001610 -0.003068 -0.031728 0.012833 0.059146 -0.000552 -0.048369 -0.000251 0.027874 -0.019496 -0.171063 0.055588 0.263986 0.011993 -0.125021 -0.669024 0.013958 -0.000492 0.012950 0.076750 0.017176 0.152495 0.002840 0.001794 0.006330 -0.102529 -0.057247 -0.084526 -0.041997 -0.096135 0.013747 -0.002412 0.035281 -0.058399 -0.218080 -0.036808 0.265013 -0.007670 -0.021372 0.001674 0.086019 -0.010051 -0.301509 0.033458 -0.018011 -0.002899 0.012495 0.001701 0.017881 0.006481 0.005918 0.011096 0.179126 0.106278 0.319945 0.132292 0.182469 -0.179668 0.077071 0.125345 -0.109658 -0.021549 -0.001129 0.010777 -0.005961 0.000868 0.027976 0.040478 -0.013160 0.002058 0.021295 0.012426 0.003992 0.015136 0.006204 -0.002573 0.000743 0.003608 0.005350 0.158022 0.011996 -0.589637 0.025826 -0.014693 -0.680504 -0.000465 0.039692 0.010278 0.027561 -0.038209 0.008747 -0.000527 0.012871 0.012903 -0.047214 -0.008100 0.017395 0.174166 -0.110149 -0.088040 -0.005219 0.001970 -0.000211 -0.039829 0.041489 -0.078718 -0.170179 -0.044113 -0.138836 0.006785 0.009017 0.010065 -0.162338 -0.066483 0.053227 -0.002880 0.008476 0.001837 0.009722 0.004957 -0.001870 -0.015072 0.011304 0.000980 -0.070831 -0.162432 -0.193381 -0.558078 -0.184365 0.409359 -0.033273 -0.029202 -0.089144 0.041833 -0.001713 0.158450 0.004536 -0.005493 0.026330 -0.029867 0.014136 -0.151438 -0.015246 -0.004614 -0.007952 -0.033564 0.050656 0.017610 0.021643 -0.150071 -0.487195 0.042212 0.003995 0.004561 -0.089374 -0.012312 0.016934 0.540964 -0.321589 1.003508 -0.009596 -0.009353 0.022157 0.089605 -0.112091 -0.374693 -0.015613 -0.001442 0.001695 0.025733 0.064914 0.117477 0.000042 0.013363 0.011513 0.017016 -0.003147 0.004132 -0.051823 0.043523 0.407859 -0.039844 0.000690 -0.011278 0.045529 0.025164 0.064488 -0.421207 0.093514 0.110004 -0.007654 0.014107 0.033228 -0.228589 0.000262 0.529626 -0.005937 0.002159 -0.005190 -0.239484 -0.010314 -0.161315 0.000899 0.002245 -0.015840 -0.013672 -0.045224 0.105846 0.113428 0.192077 -0.482416 0.008942 0.007022 -0.004927 0.005935 0.008396 0.020498 0.350694 0.407870 1.247256 -0.001230 0.011299 0.011310 0.255044 0.168196 -0.360160 -0.015897 -0.013281 0.011579 0.269991 -0.064555 -0.243275 0.013910 0.038762 0.005139 0.012620 -0.017984 0.024676 -0.151563 -0.039712 0.030790 0.024388 0.003990 0.001037 -0.008746 -0.040024 0.014378 0.128782 -0.008269 -0.491275 0.001233 0.039123 -0.031218 -0.170721 0.056406 0.266186 0.009754 -0.123952 -0.671499 0.064522 0.010910 0.035755 0.191341 -0.013587 0.175549 -0.003121 0.004954 -0.008158 -0.098816 -0.058536 -0.062414 -0.091594 -0.212727 0.016964 0.002942 0.069138 -0.186151 -0.218855 -0.037907 0.270139 -0.001280 -0.070010 -0.000243 0.088846 -0.009579 -0.300239 0.115487 -0.020461 -0.030301 0.020618 0.004885 0.021945 0.011360 0.005955 -0.000979 0.178672 0.106298 0.323407 0.127275 0.183410 -0.182478 0.077675 0.122960 -0.108171 -0.067784 -0.003685 0.021526 -0.010048 -0.005239 0.047278 0.086090 -0.021172 -0.003863 0.019439 0.007298 0.002643 0.008005 0.019654 -0.012285 0.008475 0.038815 0.017510 0.156361 0.011507 -0.589650 0.024435 -0.014578 -0.681605 -0.001482 0.037648 0.017487 0.062003 -0.055660 0.022426 -0.000379 0.018233 0.011173 -0.065505 -0.016182 0.007145 0.174101 -0.109473 -0.085247 -0.021657 0.004904 -0.007061 -0.039251 0.040895 -0.076037 -0.169449 -0.043241 -0.136213 0.005535 0.005768 0.006207 -0.161712 -0.065614 0.062862 -0.019643 0.003722 0.026661 0.011379 -0.008838 -0.017409 -0.028455 0.004726 -0.005097 -0.072131 -0.160729 -0.181757 -0.554166 -0.178016 0.404900 -0.051164 -0.024238 -0.087055 0.050592 -0.003868 0.149676 0.027297 -0.010557 0.057612 -0.031712 0.016158 -0.156038 -0.052502 -0.036383 0.005530 -0.035091 0.060377 0.059559 0.027717 -0.149184 -0.492825 0.066945 0.034890 -0.006629 -0.133331 0.023955 0.021759 0.532078 -0.323358 1.012348 -0.028752 -0.002955 0.007799 0.082744 -0.112959 -0.380783 -0.019373 -0.007216 0.002266 0.027404 0.058235 0.114286 0.019654 0.052922 -0.001240 0.030542 -0.010183 0.005998 -0.056950 0.042538 0.405647 -0.059587 -0.008044 -0.012212 0.000535 0.048101 0.077170 -0.424511 0.088151 0.103625 -0.017218 0.016258 0.051586 -0.228977 0.002749 0.530669 -0.009057 -0.003395 0.003376 -0.240703 -0.011904 -0.162674 0.009503 0.021395 -0.037705 -0.140049 -0.051063 0.578419 0.110794 0.191867 -0.485287 0.029036 -0.000367 -0.003681 -0.005331 0.008534 0.026068 0.356802 0.417192 1.249939 0.014159 0.032003 0.011588 0.255739 0.168520 -0.362436 -0.049984 -0.012572 0.029679 0.270516 -0.056682 -0.245882 0.022115 0.063705 -0.003820 0.010222 -0.006317 0.000327 -0.148274 -0.038266 0.028582 0.032890 0.014816 -0.001004 -0.023001 -0.052610 0.017353 0.098332 -0.005335 -0.290046 0.000635 0.037358 -0.030068 -0.170702 0.055830 0.265607 0.011916 -0.124667 -0.670600 0.039189 0.004402 0.024791 0.139619 0.002759 0.174695 0.000369 0.003301 -0.001529 -0.100286 -0.058339 -0.072059 -0.066492 -0.157533 0.014633 -0.000381 0.053538 -0.125813 -0.218365 -0.037610 0.269028 -0.003671 -0.047551 0.001027 0.087971 -0.010190 -0.300087 0.076618 -0.019633 -0.015833 0.016794 0.003751 0.020507 0.008684 0.006004 0.005969 0.179098 0.106274 0.322396 0.129197 0.182726 -0.180702 0.077244 0.123801 -0.108255 -0.046100 -0.003041 0.017029 -0.009113 -0.003209 0.041040 0.066328 -0.018003 0.000968 0.021766 0.010906 0.003613 0.012615 0.014523 -0.008342 0.004837 0.021533 0.012021 0.156894 0.011475 -0.590153 0.024960 -0.014699 -0.681847 -0.001544 0.038434 0.014860 0.046420 -0.048997 0.017661 0.000412 0.014889 0.012084 -0.058285 -0.012541 0.015386 0.174237 -0.109949 -0.085874 -0.013586 0.003675 -0.002870 -0.039303 0.041036 -0.076623 -0.169501 -0.043845 -0.136921 0.005789 0.007833 0.009114 -0.161814 -0.066239 0.059005 -0.011815 0.005778 0.017540 0.011233 -0.001099 -0.007901 -0.022492 0.008391 -0.001945 -0.071863 -0.161665 -0.186757 -0.554281 -0.180986 0.407361 -0.043873 -0.023066 -0.088983 0.046666 -0.004601 0.153419 0.019168 -0.007686 0.042837 -0.031032 0.015531 -0.154348 -0.037518 -0.023188 0.001532 -0.036821 0.059013 0.037404 0.025413 -0.149966 -0.491348 0.056003 0.021345 -0.003472 -0.119635 0.007125 0.015118 0.534212 -0.322859 1.009980 -0.019447 -0.005568 0.009455 0.085763 -0.112831 -0.379587 -0.016257 -0.005979 0.000210 0.026718 0.058550 0.115273 0.010699 0.035233 0.004396 0.025796 -0.011175 0.002983 -0.055099 0.042358 0.405358 -0.049286 -0.002652 -0.009115 0.025883 0.033330 0.065469 -0.423071 0.090514 0.105751 -0.014201 0.013753 0.045613 -0.229068 0.003006 0.529977 -0.008246 -0.002389 -0.002959 -0.240040 -0.011770 -0.162052 0.005798 0.015473 -0.028105 -0.087197 -0.050975 0.369583 0.111395 0.192012 -0.484420 0.020534 0.001729 -0.004168 -0.001630 0.005582 0.023104 0.354301 0.412991 1.248589 0.008762 0.024593 0.007089 0.255881 0.168150 -0.361671 -0.034693 -0.011191 0.022329 0.270187 -0.057861 -0.245223 0.019441 0.052710 -0.000978 0.010337 -0.008253 0.007384 -0.148910 -0.038585 0.029354 0.029071 0.009885 -0.001166 -0.017572 -0.045376 0.013280 0.095230 -0.005522 -0.283278 -0.000302 0.035620 -0.028661 -0.171571 0.056333 0.265623 0.010479 -0.124178 -0.671378 0.046543 0.007007 0.027958 0.147831 -0.004659 0.172553 -0.001052 0.004366 -0.004680 -0.099724 -0.058059 -0.069260 -0.072553 -0.164015 0.014177 0.001078 0.058264 -0.141950 -0.219282 -0.037298 0.269269 -0.002546 -0.052822 -0.000358 0.088291 -0.009678 -0.300839 0.083938 -0.018650 -0.019149 0.017259 0.003983 0.020318 0.009100 0.006366 0.003432 0.179857 0.106581 0.322660 0.128507 0.183049 -0.181993 0.077032 0.124027 -0.109142 -0.051016 -0.002447 0.018318 -0.008888 -0.003370 0.041212 0.069819 -0.018506 -0.001088 0.021157 0.009369 0.003107 0.011331 0.016515 -0.009664 0.005978 0.027201 0.013290 0.156784 0.011853 -0.590094 0.024949 -0.014241 -0.681705 -0.001134 0.038348 0.014556 0.048469 -0.050399 0.018183 -0.000180 0.015766 0.010537 -0.060717 -0.014015 0.010785 0.174732 -0.109496 -0.085702 -0.014954 0.003865 -0.004243 -0.039326 0.041326 -0.076677 -0.169595 -0.043259 -0.136808 0.005202 0.007726 0.007678 -0.161974 -0.065493 0.059488 -0.013866 0.004652 0.020216 0.010838 -0.003459 -0.011452 -0.023003 0.007570 -0.003380 -0.071986 -0.161253 -0.186587 -0.554544 -0.180339 0.405793 -0.045659 -0.029800 -0.098164 0.047114 -0.003881 0.152508 0.016129 -0.008362 0.043709 -0.030686 0.016228 -0.154900 -0.037781 -0.023114 -0.000312 -0.039674 0.067980 0.040357 0.023641 -0.149459 -0.491671 0.062765 0.020853 0.000737 -0.128070 0.007259 0.020618 0.534002 -0.322069 1.010124 -0.021498 -0.004302 0.016011 0.085655 -0.112287 -0.380974 -0.019581 -0.005495 0.000262 0.026511 0.061285 0.115522 0.007941 0.033753 0.005789 0.028190 -0.010367 0.002718 -0.053208 0.042910 0.405394 -0.056847 -0.004353 -0.011673 0.033106 0.040410 0.077387 -0.423229 0.090937 0.105159 -0.013945 0.017192 0.047420 -0.228306 0.003168 0.528895 -0.006356 -0.000825 -0.000986 -0.239969 -0.011539 -0.162244 0.005876 0.011789 -0.029310 -0.086706 -0.056172 0.364971 0.107230 0.192482 -0.484708 0.017605 0.003392 -0.003705 0.003039 0.012692 0.025067 0.354595 0.413563 1.248519 0.008166 0.022496 0.011434 0.255032 0.168579 -0.362696 -0.033834 -0.017273 0.023742 0.270008 -0.059674 -0.244980 0.019851 0.056156 -0.001109 0.015105 -0.011698 0.011109 -0.144799 -0.038240 0.029204 0.031627 0.009438 -0.000136 -0.019230 -0.052276 0.019848 0.087338 -0.007645 -0.264805 0.000779 0.038253 -0.030398 -0.170184 0.056624 0.266010 0.008478 -0.124093 -0.672466 0.061807 0.010553 0.033497 0.178494 -0.020563 0.184829 -0.003660 0.004411 -0.010959 -0.098701 -0.059169 -0.062328 -0.081485 -0.181270 0.010673 0.001337 0.064968 -0.183727 -0.218289 -0.037961 0.270158 -0.000587 -0.068205 -0.004413 0.089111 -0.009141 -0.300276 0.108720 -0.018517 -0.028272 0.017758 0.003776 0.019999 0.010461 0.006505 -0.001867 0.178093 0.105897 0.323050 0.127378 0.182764 -0.178757 0.077643 0.123366 -0.106656 -0.064989 -0.003066 0.022138 -0.009892 -0.006326 0.043001 0.079094 -0.020456 -0.003990 0.024141 0.007012 0.003835 0.009349 0.020463 -0.014193 0.008556 0.039404 0.018049 0.156237 0.011710 -0.589102 0.024160 -0.014468 -0.681505 -0.001034 0.037698 0.017315 0.055721 -0.056021 0.022393 -0.000336 0.015733 0.010370 -0.066041 -0.017233 0.003907 0.173829 -0.109023 -0.085429 -0.019075 0.005222 -0.006322 -0.039345 0.040926 -0.076246 -0.169202 -0.043039 -0.136044 0.006166 0.003725 0.006036 -0.162213 -0.065202 0.062892 -0.019488 0.000002 0.029745 0.010042 -0.011933 -0.019915 -0.024763 0.006633 -0.005261 -0.072123 -0.161279 -0.182752 -0.553196 -0.178140 0.404624 -0.047990 -0.023607 -0.093871 0.050003 -0.002359 0.149690 0.025807 -0.012811 0.057433 -0.032338 0.016985 -0.156538 -0.050342 -0.036452 0.004918 -0.033237 0.064843 0.055510 0.030727 -0.148593 -0.492285 0.067442 0.034895 -0.006641 -0.128442 0.027757 0.025529 0.530645 -0.322033 1.012725 -0.024756 -0.000476 0.012300 0.083050 -0.111987 -0.381451 -0.018242 -0.007160 0.003443 0.028247 0.057700 0.113326 0.018431 0.044181 -0.000856 0.029786 -0.006371 0.006687 -0.059305 0.042618 0.405801 -0.063718 -0.008253 -0.011805 0.006480 0.046519 0.078440 -0.424064 0.088666 0.102247 -0.016667 0.018802 0.052612 -0.227679 0.001755 0.530940 -0.005581 -0.000614 0.006882 -0.241009 -0.012488 -0.163271 0.009785 0.019843 -0.035466 -0.092100 -0.055676 0.351125 0.112300 0.191607 -0.485827 0.022869 -0.003150 -0.001101 -0.005797 0.008580 0.025147 0.356016 0.415059 1.248057 0.013195 0.028813 0.015656 0.255075 0.167953 -0.362824 -0.046815 -0.013149 0.031305 0.271046 -0.056023 -0.246752 0.020794 0.055375 -0.004226 0.006227 -0.008347 -0.000186 -0.149779 -0.038127 0.027903 0.032484 0.012287 0.001341 -0.022635 -0.049456 0.017245 0.071698 -0.011214 -0.224375 0.000253 0.035857 -0.027251 -0.170810 0.057460 0.267432 0.003902 -0.123825 -0.676021 0.094173 0.018213 0.049792 0.245951 -0.048309 0.191677 -0.010718 0.009225 -0.027946 -0.096343 -0.060988 -0.048859 -0.101327 -0.219451 0.007200 0.006659 0.085750 -0.272294 -0.219614 -0.039184 0.272709 0.006309 -0.098931 -0.019008 0.091405 -0.008400 -0.301211 0.154296 -0.014736 -0.045132 0.020810 0.003661 0.017911 0.013506 0.006197 -0.012519 0.178968 0.105229 0.325263 0.124595 0.182913 -0.178166 0.078220 0.122100 -0.106270 -0.089798 -0.004075 0.028110 -0.008413 -0.010005 0.045982 0.097785 -0.024742 -0.012608 0.026316 -0.002018 0.004405 0.004178 0.027785 -0.022146 0.013084 0.064360 0.028501 0.155950 0.011356 -0.588392 0.023977 -0.014527 -0.680044 0.000331 0.036248 0.022680 0.070715 -0.067109 0.029316 -0.001714 0.015787 0.007761 -0.076009 -0.023368 -0.009565 0.174724 -0.108226 -0.083917 -0.028833 0.006324 -0.011135 -0.039184 0.040304 -0.074914 -0.168816 -0.042564 -0.134075 0.008246 -0.004348 0.003813 -0.161639 -0.064568 0.068071 -0.031833 -0.008674 0.049246 0.009374 -0.029776 -0.036008 -0.028699 0.001699 -0.010929 -0.072100 -0.161060 -0.177105 -0.552769 -0.173649 0.403505 -0.056232 -0.018721 -0.078895 0.055997 -0.001945 0.144186 0.041336 -0.020575 0.084217 -0.031881 0.017834 -0.158355 -0.074569 -0.063288 0.019251 -0.021883 0.071724 0.089614 0.031674 -0.148601 -0.494542 0.075888 0.056844 -0.013290 -0.134777 0.064156 0.037718 0.526597 -0.322265 1.016958 -0.031879 0.006173 0.005814 0.078527 -0.113025 -0.382636 -0.016445 -0.010010 0.006963 0.028238 0.055339 0.113168 0.033202 0.058883 -0.012471 0.036961 -0.002461 0.012872 -0.058885 0.042457 0.406428 -0.071534 -0.016255 -0.016718 -0.050397 0.075050 0.083248 -0.425514 0.084127 0.098344 -0.020936 0.022533 0.057035 -0.226720 0.001747 0.534529 -0.004243 -0.002328 0.016868 -0.240865 -0.013416 -0.162921 0.017193 0.037047 -0.046114 -0.100297 -0.061141 0.324168 0.107693 0.191649 -0.486848 0.026134 -0.016301 0.004470 -0.021268 0.006166 0.027175 0.359125 0.418487 1.254052 0.022476 0.041880 0.018887 0.255682 0.168606 -0.363109 -0.072694 -0.003266 0.043631 0.271034 -0.053307 -0.247152 0.020717 0.059319 -0.009788 0.003835 -0.003809 -0.015169 -0.144461 -0.038003 0.027439 0.030132 0.016648 0.002706 -0.033767 -0.054672 0.014778 0.040747 -0.015024 -0.147747 -0.004188 0.026806 -0.006901 -0.171707 0.058920 0.268507 -0.007681 -0.123188 -0.683606 0.153030 0.038619 0.072148 0.371487 -0.130321 0.179788 -0.026858 0.011505 -0.057288 -0.092448 -0.064019 -0.025908 -0.141824 -0.296064 -0.003777 0.011894 0.112176 -0.459873 -0.222006 -0.041111 0.274745 0.020003 -0.162126 -0.063844 0.094145 -0.006672 -0.305464 0.259031 -0.006639 -0.083754 0.028167 0.002958 0.014286 0.020877 0.007359 -0.038627 0.178844 0.104416 0.326754 0.120464 0.183527 -0.176139 0.079067 0.119809 -0.104821 -0.143324 -0.004200 0.040512 -0.006800 -0.017867 0.047735 0.132113 -0.030618 -0.032610 0.022178 -0.017939 0.005649 -0.005816 0.041146 -0.035142 0.023311 0.113533 0.048648 0.155657 0.011046 -0.583616 0.022882 -0.014977 -0.676744 0.003935 0.033633 0.030524 0.100030 -0.082803 0.041398 -0.006862 0.015685 0.001962 -0.091653 -0.035041 -0.048947 0.175324 -0.106509 -0.083683 -0.049941 0.008853 -0.023067 -0.039388 0.039428 -0.074693 -0.168410 -0.041702 -0.132675 0.015783 -0.024079 -0.002207 -0.160922 -0.063163 0.076197 -0.047058 -0.025223 0.083345 0.011665 -0.068023 -0.067754 -0.043596 -0.009153 -0.024408 -0.071467 -0.160747 -0.167155 -0.551225 -0.165473 0.402583 -0.069732 -0.009660 -0.001369 0.066114 0.005369 0.135137 0.061914 -0.035616 0.135312 -0.032123 0.017745 -0.160895 -0.117507 -0.113281 0.040428 0.000923 0.108437 0.174937 0.029736 -0.147973 -0.494167 0.082460 0.100420 -0.038434 -0.137217 0.138409 0.075791 0.518199 -0.322920 1.022055 -0.048488 0.021973 -0.005802 0.070966 -0.114760 -0.381264 -0.008617 -0.014352 0.018008 0.029308 0.046889 0.112069 0.060686 0.094480 -0.033015 0.043411 0.009554 0.026985 -0.054240 0.041988 0.408822 -0.072121 -0.023724 -0.024917 -0.156768 0.116191 0.100007 -0.426942 0.076341 0.093596 -0.025133 0.028388 0.064307 -0.225850 -0.004358 0.542998 -0.006459 -0.002189 0.042808 -0.240616 -0.013380 -0.162852 0.033751 0.065992 -0.065072 -0.111183 -0.073514 0.283412 0.107500 0.190942 -0.487852 0.047179 -0.037916 0.015698 -0.056630 -0.001031 0.034677 0.363371 0.425148 1.255394 0.040212 0.068259 0.035331 0.257031 0.169943 -0.362092 -0.111102 0.005942 0.070786 0.271164 -0.043949 -0.247577 0.019023 0.062583 -0.019850 -0.028714 0.002591 -0.049801 -0.144200 -0.037577 0.025481 0.031161 0.025580 0.004873 -0.047928 -0.043703 0.011716 0.056637 -0.014016 -0.187288 0.000855 0.034740 -0.015755 -0.169619 0.058297 0.267745 -0.000730 -0.123671 -0.679409 0.125243 0.027381 0.058738 0.308400 -0.086921 0.194929 -0.020011 0.009526 -0.043471 -0.094309 -0.062613 -0.037389 -0.122863 -0.257791 0.000958 0.006358 0.099532 -0.367675 -0.219171 -0.040359 0.273383 0.013287 -0.131823 -0.039082 0.092961 -0.007647 -0.302188 0.209388 -0.010994 -0.064874 0.023994 0.003503 0.016228 0.016342 0.006058 -0.023941 0.176990 0.104364 0.326018 0.122464 0.182710 -0.173820 0.078710 0.120947 -0.103325 -0.117324 -0.004262 0.034891 -0.008111 -0.014339 0.048301 0.115794 -0.027461 -0.021270 0.027750 -0.008674 0.006564 -0.000125 0.034427 -0.028384 0.018377 0.088550 0.039188 0.155358 0.011302 -0.586362 0.022779 -0.014923 -0.678251 0.001369 0.034745 0.027229 0.085632 -0.076461 0.035874 -0.004412 0.015091 0.005624 -0.084574 -0.028957 -0.027226 0.173918 -0.107298 -0.083674 -0.039155 0.007830 -0.016774 -0.039138 0.039742 -0.074468 -0.168328 -0.042142 -0.133191 0.013030 -0.014932 0.000849 -0.161204 -0.063898 0.073413 -0.039492 -0.016460 0.067917 0.009096 -0.047707 -0.052851 -0.037020 -0.003003 -0.017253 -0.071949 -0.160749 -0.170419 -0.550644 -0.170541 0.404077 -0.060745 -0.013694 -0.042140 0.060124 0.001598 0.140105 0.053458 -0.026405 0.107736 -0.032924 0.018174 -0.160219 -0.095221 -0.089026 0.031066 -0.012840 0.096773 0.133209 0.038704 -0.147985 -0.494386 0.075687 0.078462 -0.027582 -0.144629 0.099139 0.054323 0.521168 -0.322772 1.019175 -0.040614 0.013415 -0.002707 0.075836 -0.113589 -0.382101 -0.011786 -0.011265 0.011656 0.029878 0.051315 0.109481 0.045728 0.078922 -0.024678 0.038367 0.001189 0.020113 -0.064589 0.042166 0.406272 -0.068225 -0.020847 -0.020023 -0.094089 0.086280 0.088857 -0.425740 0.081673 0.094764 -0.021889 0.023306 0.058740 -0.226431 -0.001302 0.537803 -0.007393 -0.002022 0.028025 -0.241545 -0.013823 -0.164498 0.024773 0.051876 -0.054123 -0.103671 -0.068854 0.307698 0.113778 0.190948 -0.488537 0.036146 -0.027653 0.008947 -0.035093 0.001821 0.030427 0.361059 0.421830 1.253126 0.031158 0.056477 0.028726 0.256444 0.168847 -0.362852 -0.091802 0.001778 0.058892 0.272075 -0.048995 -0.249652 0.020579 0.059163 -0.014978 -0.018614 0.001879 -0.035798 -0.150484 -0.037859 0.024629 0.030710 0.021878 0.002994 -0.043902 -0.043919 0.013923 0.010753 -0.011121 0.060677 -0.005491 0.030835 -0.011109 -0.170722 0.058711 0.267346 -0.006659 -0.124387 -0.683598 0.116830 0.026182 0.054317 0.283052 -0.093829 0.203763 -0.021923 0.008121 -0.046944 -0.094404 -0.065591 -0.039100 -0.103263 -0.204643 -0.004300 0.006400 0.093750 -0.352830 -0.220341 -0.041073 0.273487 0.014908 -0.127850 -0.054499 0.094387 -0.006482 -0.303944 0.202226 -0.003670 -0.061683 0.019887 0.001254 0.011549 0.016245 0.006235 -0.025900 0.177690 0.104176 0.325937 0.121760 0.181842 -0.168776 0.078313 0.121250 -0.102102 -0.109688 -0.004492 0.033813 -0.004049 -0.014338 0.038212 0.100677 -0.025600 -0.023414 0.031709 -0.012206 0.008756 0.001898 0.035376 -0.032153 0.018136 0.087940 0.041451 0.155523 0.011079 -0.584831 0.022677 -0.014841 -0.677148 0.004226 0.035111 0.027884 0.073031 -0.076763 0.035676 -0.005050 0.010034 0.003843 -0.086529 -0.029340 -0.035180 0.174637 -0.106751 -0.083910 -0.036236 0.009061 -0.015090 -0.039334 0.039640 -0.075653 -0.168337 -0.042326 -0.132833 0.015230 -0.017868 -0.000445 -0.161671 -0.064088 0.072696 -0.038574 -0.022577 0.072167 0.007702 -0.056383 -0.058456 -0.030730 0.001815 -0.019518 -0.072226 -0.162063 -0.172766 -0.552342 -0.170081 0.404533 -0.053501 -0.008890 -0.041801 0.060012 0.000840 0.140281 0.052968 -0.030350 0.110561 -0.032766 0.018763 -0.160223 -0.093952 -0.095059 0.032523 -0.002973 0.102796 0.125779 0.036956 -0.148157 -0.496058 0.074861 0.080076 -0.026869 -0.120914 0.107307 0.061040 0.520651 -0.320609 1.019660 -0.035596 0.017659 -0.000173 0.075248 -0.113886 -0.382243 -0.007703 -0.013485 0.014458 0.029620 0.049181 0.110203 0.048016 0.063903 -0.022997 0.037254 0.007173 0.022030 -0.062188 0.042159 0.407672 -0.067733 -0.020273 -0.022004 -0.095731 0.093160 0.085056 -0.425501 0.080676 0.092708 -0.022305 0.029285 0.061058 -0.224359 -0.000309 0.540036 -0.000344 -0.000412 0.035644 -0.241321 -0.014622 -0.164197 0.027077 0.053839 -0.051654 -0.051089 -0.078678 0.057619 0.111366 0.190751 -0.489125 0.030664 -0.032708 0.015451 -0.045513 0.000098 0.030886 0.359516 0.417801 1.251259 0.030299 0.052842 0.034774 0.255925 0.168892 -0.362788 -0.087956 0.003557 0.061863 0.271756 -0.047172 -0.249542 0.015806 0.044606 -0.012664 -0.019777 -0.000082 -0.039532 -0.148498 -0.038018 0.024583 0.025953 0.017297 0.005811 -0.044555 -0.043999 0.010989 -0.125792 0.011657 0.862252 -0.014772 0.019824 0.011817 -0.172874 0.060644 0.267500 -0.023138 -0.126357 -0.694872 0.093018 0.022019 0.042874 0.171451 -0.134343 0.205277 -0.032910 0.001857 -0.056596 -0.094996 -0.073276 -0.046027 -0.051371 -0.057886 -0.018005 0.003423 0.071055 -0.317782 -0.222836 -0.042978 0.275012 0.017990 -0.115492 -0.109189 0.097285 -0.002259 -0.308419 0.183929 0.016663 -0.052827 0.007660 -0.003529 -0.000509 0.013858 0.000749 -0.031467 0.178537 0.102279 0.325233 0.121203 0.179493 -0.150510 0.077274 0.122642 -0.096479 -0.086597 -0.003799 0.033509 0.007116 -0.010804 0.009121 0.055059 -0.019004 -0.027907 0.041952 -0.021257 0.014454 0.007123 0.036252 -0.039924 0.018272 0.086350 0.047979 0.155822 0.011507 -0.580305 0.021773 -0.014666 -0.672041 0.011751 0.036260 0.029932 0.037637 -0.075432 0.035389 -0.007498 -0.005427 0.000078 -0.083933 -0.028994 -0.056651 0.175747 -0.104388 -0.084236 -0.027792 0.011403 -0.009946 -0.040032 0.039893 -0.078323 -0.168138 -0.042479 -0.131347 0.025307 -0.027556 -0.005702 -0.162595 -0.064035 0.072022 -0.036033 -0.042562 0.083580 0.004032 -0.078663 -0.069395 -0.013022 0.013466 -0.025513 -0.072384 -0.165659 -0.177171 -0.553303 -0.170594 0.411300 -0.027551 0.017238 0.018621 0.057513 0.007297 0.143897 0.047413 -0.038918 0.111261 -0.032941 0.020576 -0.157928 -0.087963 -0.112240 0.040978 0.035231 0.125662 0.123676 0.034981 -0.148729 -0.492101 0.048382 0.080035 -0.048472 -0.043545 0.138784 0.085266 0.515867 -0.315771 1.018822 -0.022797 0.030418 0.006047 0.075515 -0.113710 -0.380521 0.013727 -0.014817 0.023285 0.030370 0.045335 0.110973 0.046308 0.026305 -0.029910 0.019613 0.024886 0.033945 -0.057961 0.041868 0.412550 -0.045845 -0.018444 -0.023261 -0.090860 0.103926 0.076867 -0.423528 0.081381 0.089056 -0.018357 0.036474 0.039661 -0.219134 -0.004938 0.548452 0.013175 0.007867 0.043682 -0.241206 -0.016236 -0.162818 0.025459 0.060529 -0.033906 0.130950 -0.127444 -0.769532 0.108052 0.191196 -0.489420 0.024091 -0.050944 0.031403 -0.062305 -0.018807 0.025706 0.354616 0.407690 1.252208 0.029290 0.048994 0.040486 0.254912 0.168998 -0.360502 -0.077939 0.011045 0.062354 0.272173 -0.043714 -0.249665 0.000097 -0.010190 -0.008145 -0.036506 0.004331 -0.055588 -0.146181 -0.037406 0.023630 0.006008 0.007954 0.007653 -0.046327 -0.029056 0.005109 -0.111752 0.009311 0.759313 -0.017605 0.018759 0.014612 -0.175527 0.060786 0.267056 -0.028981 -0.126894 -0.699716 0.080918 0.019435 0.038973 0.123776 -0.141908 0.197741 -0.033702 -0.000036 -0.057244 -0.095323 -0.076209 -0.050947 -0.031632 -0.016265 -0.022445 0.000541 0.064394 -0.291906 -0.225467 -0.043027 0.275277 0.016502 -0.105167 -0.121930 0.098026 -0.000515 -0.311277 0.178994 0.023049 -0.051098 0.004311 -0.004472 -0.003998 0.013158 -0.001684 -0.031889 0.181565 0.102217 0.324411 0.121562 0.179223 -0.149507 0.076577 0.123082 -0.097577 -0.076598 -0.003782 0.032137 0.010572 -0.010279 0.000356 0.040042 -0.016830 -0.029152 0.042761 -0.024250 0.012230 0.008099 0.035095 -0.041585 0.017616 0.080940 0.047337 0.156363 0.011483 -0.579419 0.022371 -0.014274 -0.670914 0.015309 0.037065 0.027926 0.024806 -0.073429 0.033076 -0.008098 -0.009213 -0.000302 -0.081980 -0.028136 -0.060443 0.177700 -0.103886 -0.084569 -0.024657 0.011705 -0.008146 -0.040337 0.040158 -0.080071 -0.168172 -0.042641 -0.131258 0.026976 -0.027632 -0.006573 -0.162756 -0.064333 0.070103 -0.034214 -0.047373 0.081799 0.001967 -0.082299 -0.070946 -0.006430 0.017743 -0.027489 -0.072393 -0.166730 -0.180544 -0.553173 -0.170946 0.412571 -0.023730 0.019556 0.023450 0.055691 0.008549 0.145702 0.044995 -0.038802 0.107578 -0.031338 0.020822 -0.156725 -0.082767 -0.113958 0.040918 0.035441 0.134525 0.116087 0.023031 -0.149384 -0.491241 0.042917 0.076427 -0.050141 -0.023759 0.138818 0.095686 0.514933 -0.314737 1.017481 -0.015722 0.030562 0.012419 0.076492 -0.113600 -0.380338 0.017834 -0.015467 0.023693 0.029044 0.044913 0.113623 0.043387 0.015547 -0.026858 0.018134 0.028387 0.035307 -0.045303 0.041992 0.412998 -0.041807 -0.015882 -0.021601 -0.071346 0.112447 0.085402 -0.422354 0.082041 0.088833 -0.017891 0.040870 0.036672 -0.218108 -0.005676 0.548996 0.019452 0.008782 0.043489 -0.239805 -0.016289 -0.161382 0.025406 0.061149 -0.029445 0.115412 -0.131249 -0.662925 0.098426 0.191670 -0.489186 0.016832 -0.052140 0.033820 -0.063296 -0.019609 0.028060 0.352925 0.404963 1.250203 0.028022 0.046501 0.044829 0.255114 0.169055 -0.360368 -0.070912 0.010596 0.062380 0.271060 -0.043341 -0.247920 -0.002884 -0.023740 -0.007659 -0.026813 -0.000265 -0.054205 -0.136671 -0.037270 0.024100 0.003384 0.005227 0.008582 -0.045136 -0.034223 0.005713 -0.071933 -0.001067 0.456654 -0.028546 0.019428 0.025232 -0.175268 0.062714 0.266897 -0.043480 -0.128481 -0.709035 0.042440 0.011832 0.023916 -0.005873 -0.172158 0.171348 -0.035598 -0.008909 -0.060512 -0.096603 -0.084973 -0.064468 0.019399 0.106188 -0.031180 -0.003742 0.037165 -0.212148 -0.225476 -0.044958 0.275606 0.017195 -0.076302 -0.160136 0.100617 0.004631 -0.313435 0.166402 0.037490 -0.044009 -0.006143 -0.008558 -0.012015 0.009819 -0.008281 -0.028722 0.179652 0.100242 0.323550 0.121835 0.176996 -0.129914 0.076370 0.124348 -0.089640 -0.043347 -0.003051 0.029967 0.020826 -0.005024 -0.022358 -0.006775 -0.006969 -0.028204 0.045391 -0.022453 0.018638 0.014255 0.032521 -0.044417 0.016217 0.064230 0.048474 0.156361 0.011791 -0.576393 0.020978 -0.014206 -0.667000 0.022473 0.039316 0.028664 -0.012310 -0.067953 0.030090 -0.009392 -0.020516 0.000446 -0.075710 -0.021211 -0.067865 0.177196 -0.101717 -0.084713 -0.014309 0.013026 0.000805 -0.040510 0.040734 -0.083055 -0.167659 -0.043323 -0.129876 0.034673 -0.034007 -0.009072 -0.163413 -0.065478 0.069995 -0.029775 -0.057724 0.083679 -0.000153 -0.085915 -0.073151 0.012916 0.033070 -0.028445 -0.072887 -0.169233 -0.182711 -0.554664 -0.173833 0.417382 0.005708 0.048431 0.061821 0.050981 0.011111 0.151981 0.038106 -0.038818 0.091619 -0.032355 0.023131 -0.154253 -0.062323 -0.111670 0.043406 0.063003 0.135388 0.094679 0.033124 -0.149650 -0.488906 0.003968 0.062562 -0.063496 0.072787 0.132487 0.106690 0.512705 -0.310785 1.012908 0.001985 0.029701 0.008843 0.078946 -0.113586 -0.378217 0.036670 -0.012810 0.029224 0.031230 0.043419 0.110535 0.032955 -0.019780 -0.024564 0.000941 0.040164 0.043270 -0.053363 0.042017 0.417394 -0.010583 -0.012932 -0.020158 -0.057938 0.096361 0.075108 -0.419977 0.085224 0.085246 -0.011723 0.047416 0.018375 -0.213743 -0.007336 0.553329 0.034311 0.014057 0.040899 -0.240834 -0.018558 -0.162097 0.021674 0.058765 -0.011323 0.092666 -0.127875 -0.344101 0.106114 0.191626 -0.490433 0.007716 -0.058242 0.043373 -0.072092 -0.028990 0.022458 0.347754 0.395911 1.249457 0.023122 0.037896 0.047326 0.254715 0.168738 -0.358804 -0.055471 0.016303 0.052392 0.272906 -0.042310 -0.250482 -0.015923 -0.070682 -0.000027 -0.042252 0.005981 -0.062328 -0.144947 -0.037145 0.021566 -0.021220 -0.004747 0.010328 -0.040788 -0.010200 -0.001904 -0.006224 -0.031652 -0.122045 -0.052339 0.026311 0.049047 -0.178090 0.065724 0.266078 -0.075197 -0.131642 -0.728127 -0.032272 -0.004766 -0.005812 -0.321924 -0.224498 0.067480 -0.046935 -0.021453 -0.066979 -0.099106 -0.102299 -0.092703 0.117780 0.359766 -0.053232 -0.012216 -0.021125 -0.053947 -0.228455 -0.047973 0.277010 0.018293 -0.017458 -0.259006 0.106078 0.014517 -0.321652 0.134301 0.063167 -0.032573 -0.025207 -0.014729 -0.028718 0.004723 -0.021697 -0.025499 0.181104 0.097762 0.321366 0.122078 0.172193 -0.098136 0.073355 0.126802 -0.078635 0.024927 -0.003475 0.023282 0.039250 0.004639 -0.068066 -0.100255 0.013241 -0.024794 0.046827 -0.024722 0.028247 0.026477 0.026830 -0.049849 0.012844 0.029920 0.047693 0.156779 0.011958 -0.570377 0.019251 -0.013361 -0.661209 0.039062 0.044002 0.028904 -0.088409 -0.051287 0.021415 -0.011432 -0.044406 -0.001229 -0.058383 -0.007217 -0.086272 0.179345 -0.098200 -0.085076 0.005283 0.015361 0.016694 -0.040730 0.042164 -0.090015 -0.166843 -0.044727 -0.128039 0.048597 -0.042496 -0.014774 -0.163130 -0.067695 0.067349 -0.020608 -0.079292 0.083437 -0.005482 -0.093603 -0.078871 0.056912 0.066772 -0.028338 -0.074090 -0.174136 -0.190730 -0.555130 -0.178516 0.425484 0.061387 0.108401 0.171394 0.041456 0.015363 0.164728 0.019674 -0.042783 0.065224 -0.032725 0.027183 -0.148326 -0.024565 -0.108427 0.050172 0.107784 0.110624 0.062719 0.033588 -0.150903 -0.485287 -0.051249 0.034298 -0.080186 0.289814 0.120221 0.122763 0.506557 -0.303020 1.006136 0.037392 0.030182 0.021961 0.083994 -0.113052 -0.375497 0.070142 -0.007918 0.035607 0.032789 0.037318 0.110764 0.016867 -0.077693 -0.022731 -0.026773 0.061169 0.052908 -0.049624 0.041508 0.425054 0.036077 -0.012503 -0.019001 -0.022666 0.105488 0.073899 -0.415133 0.090890 0.081620 -0.003992 0.066944 -0.016631 -0.205988 -0.009733 0.561213 0.061510 0.021236 0.036189 -0.240624 -0.022312 -0.160335 0.012754 0.055760 0.027127 0.058170 -0.098560 0.273768 0.104589 0.192228 -0.491445 -0.019981 -0.070635 0.060150 -0.086037 -0.052197 0.018789 0.337744 0.377935 1.240360 0.014449 0.019023 0.062216 0.254692 0.167837 -0.356179 -0.018784 0.025369 0.035659 0.273803 -0.037111 -0.251834 -0.039989 -0.177149 0.011094 -0.045887 0.002197 -0.065625 -0.144289 -0.036038 0.019718 -0.051897 -0.019122 0.016565 -0.025845 0.009276 -0.013499 -0.029901 -0.018100 0.101932 -0.042729 0.022158 0.039269 -0.177789 0.064493 0.266114 -0.062815 -0.130476 -0.720983 -0.003277 0.001077 0.005612 -0.193621 -0.201032 0.117901 -0.043355 -0.017117 -0.063610 -0.098065 -0.095280 -0.081143 0.080777 0.262184 -0.047769 -0.011615 0.001189 -0.119397 -0.228117 -0.046572 0.276376 0.018524 -0.040349 -0.217048 0.103983 0.010969 -0.319091 0.146262 0.052851 -0.038096 -0.017360 -0.012257 -0.022617 0.006819 -0.015965 -0.027998 0.182275 0.098534 0.321999 0.122269 0.173900 -0.113073 0.074530 0.125946 -0.084861 -0.002113 -0.003641 0.025709 0.034039 0.000579 -0.051065 -0.062716 0.005001 -0.026941 0.046884 -0.025233 0.022129 0.021391 0.029660 -0.048837 0.014146 0.044097 0.048323 0.157112 0.012038 -0.573399 0.020600 -0.013663 -0.663094 0.032997 0.042163 0.028393 -0.058575 -0.059360 0.024852 -0.010182 -0.035099 -0.000203 -0.066861 -0.013638 -0.079247 0.179488 -0.099519 -0.085062 -0.002660 0.014548 0.010187 -0.040688 0.041599 -0.087415 -0.167254 -0.043986 -0.128963 0.042890 -0.038176 -0.013448 -0.162709 -0.066618 0.068033 -0.024422 -0.071370 0.081404 -0.003246 -0.091069 -0.077825 0.037921 0.052868 -0.029566 -0.073279 -0.171910 -0.188105 -0.555056 -0.176233 0.421886 0.035821 0.078699 0.119800 0.045925 0.014360 0.159185 0.025521 -0.041119 0.079783 -0.032014 0.025571 -0.150660 -0.041493 -0.110952 0.043769 0.090745 0.130051 0.070905 0.029305 -0.150579 -0.486223 -0.022635 0.046682 -0.070935 0.189964 0.124168 0.120525 0.509665 -0.306417 1.010663 0.022585 0.030568 0.018943 0.081542 -0.112708 -0.376073 0.056220 -0.010386 0.033902 0.031563 0.041806 0.112665 0.024132 -0.056040 -0.022363 -0.013219 0.055187 0.049433 -0.046909 0.041651 0.422249 0.008528 -0.013562 -0.021230 -0.030201 0.109908 0.074098 -0.417054 0.088378 0.082831 -0.006050 0.058141 -0.001072 -0.209052 -0.009368 0.557560 0.051766 0.016723 0.039409 -0.240010 -0.020655 -0.160556 0.016388 0.058152 0.013750 0.068067 -0.117360 0.032223 0.099904 0.192264 -0.490982 -0.007570 -0.065352 0.053002 -0.075671 -0.041790 0.021584 0.342009 0.385432 1.245925 0.019331 0.027658 0.057671 0.254667 0.167963 -0.357231 -0.033527 0.020129 0.043888 0.272888 -0.040999 -0.250158 -0.028403 -0.130686 0.006822 -0.040348 -0.001730 -0.061574 -0.138966 -0.036291 0.021036 -0.043853 -0.011903 0.012751 -0.034063 -0.004783 -0.006581 -0.021245 -0.021746 0.040619 -0.042008 0.017426 0.037204 -0.179800 0.064870 0.265778 -0.066945 -0.129833 -0.725937 -0.005379 0.001079 0.002060 -0.156467 -0.179480 0.113188 -0.035780 -0.016293 -0.055236 -0.098839 -0.099150 -0.086157 0.068840 0.207083 -0.038757 -0.008913 0.000305 -0.089199 -0.230301 -0.046816 0.275656 0.013728 -0.034901 -0.197860 0.102984 0.014304 -0.321418 0.127916 0.051257 -0.030451 -0.012983 -0.008048 -0.019911 0.005867 -0.019312 -0.024475 0.183935 0.097192 0.320191 0.123082 0.174675 -0.118247 0.074420 0.125288 -0.087178 -0.000046 -0.006072 0.025157 0.033549 0.001302 -0.044052 -0.055433 0.006968 -0.028590 0.047645 -0.020291 0.018467 0.015115 0.026365 -0.046728 0.014089 0.036392 0.044536 0.156844 0.011725 -0.574665 0.020704 -0.013375 -0.663432 0.036065 0.043682 0.023683 -0.053424 -0.055754 0.025303 -0.009840 -0.030124 -0.001608 -0.064950 -0.009975 -0.069677 0.180274 -0.098624 -0.085896 -0.005422 0.013853 0.011073 -0.041455 0.042011 -0.089908 -0.167516 -0.044288 -0.129327 0.042344 -0.032919 -0.013979 -0.163482 -0.067977 0.067647 -0.026521 -0.064938 0.070489 -0.002290 -0.079483 -0.073200 0.035237 0.048662 -0.029910 -0.073560 -0.171429 -0.186534 -0.552123 -0.175698 0.419558 0.032968 0.081429 0.105179 0.044507 0.017678 0.158994 0.025937 -0.039616 0.075051 -0.031095 0.026062 -0.150409 -0.039344 -0.109666 0.039862 0.085365 0.125839 0.065248 0.022362 -0.150684 -0.482658 -0.026881 0.043394 -0.077449 0.174163 0.112058 0.122493 0.506200 -0.306933 1.008502 0.020748 0.024481 0.019497 0.081958 -0.113035 -0.376318 0.056533 -0.011120 0.032158 0.030739 0.042575 0.112678 0.023722 -0.044069 -0.023562 -0.011327 0.055004 0.048640 -0.040002 0.041872 0.421237 0.011843 -0.012658 -0.019657 -0.028002 0.106610 0.086726 -0.416290 0.088357 0.083705 -0.006899 0.057172 -0.003483 -0.209892 -0.012643 0.556244 0.048362 0.014822 0.036221 -0.239365 -0.020944 -0.160185 0.014966 0.060451 0.013122 0.063420 -0.117538 0.091410 0.093025 0.192415 -0.490894 -0.008841 -0.061110 0.050753 -0.076840 -0.044035 0.020797 0.341531 0.388130 1.243632 0.018429 0.027139 0.056818 0.255250 0.168063 -0.357811 -0.033637 0.020127 0.042037 0.272040 -0.041602 -0.249467 -0.026116 -0.114887 0.008034 -0.034573 0.000420 -0.059557 -0.132405 -0.036320 0.020372 -0.037724 -0.009575 0.010588 -0.032751 -0.005574 -0.006823 0.006794 -0.035286 -0.140511 -0.042346 0.010883 0.031418 -0.179975 0.065351 0.266238 -0.079412 -0.129254 -0.732394 -0.010030 0.001960 -0.003499 -0.047487 -0.105201 0.090557 -0.024842 -0.017574 -0.034998 -0.099701 -0.110702 -0.096088 0.037795 0.048261 -0.014108 -0.001513 0.008586 -0.019977 -0.230898 -0.047674 0.274754 0.004387 -0.018139 -0.134300 0.103557 0.023999 -0.322767 0.069066 0.040476 -0.005450 -0.000935 0.002237 -0.010900 0.004978 -0.030487 -0.012931 0.183981 0.096894 0.318994 0.123321 0.177892 -0.124853 0.077680 0.123117 -0.086634 0.005190 -0.011125 0.023447 0.033174 0.004430 -0.021412 -0.033526 0.011807 -0.030661 0.050147 -0.003981 0.016544 0.001710 0.016722 -0.038876 0.014244 0.013402 0.037883 0.157004 0.010911 -0.572342 0.020377 -0.013589 -0.660532 0.044991 0.045861 0.019283 -0.040077 -0.048546 0.027948 -0.008575 -0.017415 -0.001159 -0.059394 -0.000975 -0.040688 0.180431 -0.098166 -0.084676 -0.012349 0.011580 0.016863 -0.041411 0.042430 -0.093977 -0.167574 -0.045167 -0.127037 0.041790 -0.019757 -0.012564 -0.164759 -0.071863 0.072549 -0.030655 -0.045652 0.041304 0.002434 -0.044140 -0.055072 0.029418 0.040693 -0.027452 -0.074213 -0.170200 -0.175461 -0.556192 -0.176775 0.416175 0.026019 0.080416 0.052162 0.043206 0.015996 0.173480 0.021989 -0.023493 0.024673 -0.030662 0.028357 -0.146726 -0.016135 -0.068182 0.032579 0.058521 0.083503 0.037684 0.021148 -0.152409 -0.478877 -0.052574 0.001758 -0.070040 0.129481 0.053462 0.099117 0.510051 -0.313724 1.003754 0.014769 -0.005805 0.009505 0.082977 -0.114811 -0.369465 0.045679 -0.005236 0.023103 0.030415 0.041909 0.114984 0.012949 0.009340 -0.017945 -0.000584 0.042095 0.034780 -0.038182 0.041231 0.427022 0.035518 -0.015399 -0.013838 -0.057682 0.061483 0.084372 -0.415612 0.092536 0.081188 -0.012029 0.050268 -0.000723 -0.212563 -0.012844 0.552626 0.026053 0.009006 0.012156 -0.239402 -0.023763 -0.158068 0.000091 0.040514 0.014722 0.027819 -0.094450 0.268104 0.096668 0.193392 -0.489167 0.006676 -0.018157 0.032526 -0.070252 -0.043193 0.011501 0.342568 0.400067 1.240831 0.017013 0.032096 0.040824 0.258538 0.167569 -0.356093 -0.027501 0.019785 0.029533 0.272089 -0.040709 -0.247918 -0.010372 -0.049447 0.007374 0.003950 0.011707 -0.048198 -0.136173 -0.036028 0.021966 -0.032972 0.003584 0.004422 -0.018099 0.001749 -0.010566 0.060645 -0.064850 -0.488513 -0.043945 0.000895 0.020942 -0.183103 0.066828 0.265775 -0.103769 -0.127289 -0.750170 -0.018118 0.001594 -0.022094 0.162567 0.047972 0.049902 -0.001486 -0.016846 0.009617 -0.102507 -0.133341 -0.118899 -0.023768 -0.259888 0.029309 0.009214 0.021005 0.115633 -0.235011 -0.049520 0.271420 -0.012373 0.016814 -0.011892 0.104288 0.043595 -0.327995 -0.052913 0.017024 0.044354 0.023182 0.022527 0.005534 0.002667 -0.052133 0.009507 0.187656 0.095204 0.315059 0.124356 0.184372 -0.143696 0.082895 0.118847 -0.089998 0.016793 -0.023828 0.017017 0.032473 0.009752 0.022200 0.007557 0.021825 -0.035386 0.055726 0.028708 0.008051 -0.028050 -0.002186 -0.024127 0.015287 -0.033633 0.019895 0.157362 0.009407 -0.572782 0.020725 -0.013731 -0.658366 0.063176 0.052096 0.006383 -0.011535 -0.032204 0.033477 -0.005910 0.009732 -0.002458 -0.045512 0.020017 0.017932 0.182444 -0.096623 -0.084258 -0.026530 0.006399 0.026584 -0.041640 0.043566 -0.103854 -0.167863 -0.046922 -0.124768 0.040097 0.009770 -0.014375 -0.167123 -0.079880 0.079510 -0.036197 -0.004944 -0.020683 0.011715 0.026188 -0.021901 0.013646 0.024515 -0.024354 -0.075485 -0.167971 -0.156329 -0.561048 -0.177346 0.401703 0.010819 0.079930 -0.034746 0.041007 0.012644 0.191055 0.016826 0.001449 -0.052715 -0.028873 0.032394 -0.142502 0.017065 -0.005690 0.012165 0.015763 0.010246 -0.003299 0.008617 -0.155233 -0.474808 -0.083878 -0.059438 -0.059182 0.042204 -0.055921 0.061206 0.515245 -0.323515 0.995867 0.000070 -0.056453 -0.005103 0.084782 -0.117568 -0.360788 0.026493 0.000488 0.008705 0.029821 0.042439 0.116730 -0.001441 0.112402 -0.011802 0.019355 0.024990 0.015981 -0.024820 0.040767 0.433323 0.065840 -0.016653 -0.004967 -0.108405 -0.006511 0.101798 -0.414301 0.098140 0.076564 -0.023767 0.030680 0.001454 -0.217078 -0.012828 0.543683 -0.007208 -0.006689 -0.023271 -0.238594 -0.028299 -0.156570 -0.021824 0.016946 0.016804 -0.029191 -0.060316 0.615481 0.089576 0.194743 -0.489268 0.026286 0.048872 0.009703 -0.059591 -0.045436 0.005184 0.345097 0.421012 1.234161 0.014951 0.037152 0.018517 0.263728 0.166577 -0.355939 -0.022353 0.019669 0.010744 0.272133 -0.040644 -0.246155 0.013664 0.057355 0.007177 0.076853 0.030699 -0.025490 -0.128810 -0.035918 0.021324 -0.016392 0.026976 -0.007796 -0.000253 0.005026 -0.016131 0.046114 -0.056508 -0.393879 -0.044547 0.004776 0.023669 -0.182124 0.066409 0.265914 -0.096694 -0.127763 -0.745499 -0.016588 0.001061 -0.016525 0.108544 0.006327 0.058013 -0.010797 -0.016897 -0.003926 -0.101643 -0.126827 -0.112239 -0.008807 -0.173061 0.016909 0.005847 0.018632 0.076927 -0.233766 -0.049027 0.272453 -0.008596 0.006388 -0.045258 0.103892 0.038161 -0.326582 -0.018009 0.023128 0.030675 0.016732 0.016503 0.001260 0.003500 -0.045940 0.003299 0.186376 0.095743 0.316285 0.124153 0.182349 -0.137640 0.081194 0.120066 -0.088375 0.013826 -0.020482 0.019132 0.032284 0.008172 0.010260 -0.002618 0.019262 -0.032927 0.053841 0.019514 0.010306 -0.019062 0.003452 -0.027993 0.014861 -0.020384 0.025034 0.157273 0.009811 -0.572420 0.020665 -0.013679 -0.659086 0.057803 0.050204 0.009713 -0.019837 -0.036809 0.032367 -0.007316 0.000695 -0.001503 -0.049072 0.013569 0.001471 0.181754 -0.096909 -0.084648 -0.022250 0.007750 0.024108 -0.041666 0.043246 -0.100979 -0.167753 -0.046419 -0.125534 0.040655 0.002160 -0.013467 -0.166188 -0.077361 0.077956 -0.034384 -0.016037 -0.004109 0.009232 0.007060 -0.031247 0.018063 0.028562 -0.024576 -0.074959 -0.167983 -0.161766 -0.559530 -0.176597 0.404945 0.014770 0.080949 -0.008625 0.041795 0.014139 0.184690 0.018252 -0.006289 -0.028224 -0.029790 0.030601 -0.144109 0.008266 -0.024099 0.017805 0.029330 0.033616 0.007710 0.011457 -0.154171 -0.475898 -0.076139 -0.041569 -0.062190 0.066246 -0.026803 0.070605 0.513863 -0.319690 0.997408 0.002431 -0.040634 0.001524 0.084128 -0.116840 -0.363926 0.031923 -0.001932 0.013754 0.030523 0.041176 0.115477 0.003524 0.081632 -0.014131 0.012861 0.028851 0.022400 -0.027891 0.041077 0.431211 0.059095 -0.016090 -0.008193 -0.094022 0.011612 0.099016 -0.414847 0.096031 0.078397 -0.020981 0.034560 0.000166 -0.215564 -0.013570 0.546596 0.002949 -0.002500 -0.012218 -0.239169 -0.026395 -0.157493 -0.014596 0.026076 0.015827 -0.014195 -0.071736 0.520246 0.092866 0.193992 -0.489537 0.020105 0.031139 0.013769 -0.060794 -0.046527 0.006148 0.344609 0.414348 1.234837 0.013502 0.034020 0.025013 0.261862 0.166845 -0.356266 -0.024162 0.019862 0.016933 0.272489 -0.039515 -0.246883 0.007287 0.029661 0.006626 0.054959 0.025009 -0.030813 -0.132269 -0.036152 0.020946 -0.019510 0.019974 -0.005547 -0.005570 0.005026 -0.013571 -0.011009 -0.028608 0.035009 -0.041270 0.000908 0.021025 -0.181017 0.066855 0.265036 -0.102669 -0.127512 -0.750060 -0.017467 -0.000338 -0.018752 0.126619 0.046607 0.065646 -0.000067 -0.011130 0.006316 -0.101643 -0.133426 -0.116857 -0.020669 -0.187629 0.023996 0.010076 0.024341 0.099527 -0.232864 -0.049628 0.270677 -0.009193 0.013592 -0.009441 0.103612 0.043993 -0.326482 -0.056889 0.016507 0.048231 0.016949 0.017336 0.002622 0.001458 -0.043912 0.010498 0.184987 0.094739 0.314797 0.123841 0.182775 -0.137415 0.083025 0.119395 -0.087657 0.016931 -0.021455 0.014747 0.029369 0.007100 0.017101 0.008966 0.021095 -0.033146 0.056167 0.027666 0.010423 -0.023171 -0.000182 -0.022645 0.013475 -0.028982 0.018958 0.157116 0.009726 -0.572879 0.020353 -0.013825 -0.658415 0.062471 0.050433 0.007284 -0.011898 -0.030680 0.033450 -0.006902 0.004547 -0.002948 -0.043093 0.016677 0.014195 0.181097 -0.096288 -0.085594 -0.021098 0.005201 0.023574 -0.041616 0.043346 -0.104042 -0.167549 -0.046811 -0.125352 0.037994 0.009139 -0.014413 -0.167033 -0.078068 0.079422 -0.034152 -0.007762 -0.014745 0.013251 0.018049 -0.022533 0.014165 0.029977 -0.020972 -0.074716 -0.168668 -0.159825 -0.560649 -0.176622 0.400619 0.009366 0.074901 -0.029360 0.040235 0.013698 0.189112 0.017572 -0.001812 -0.040657 -0.030615 0.032325 -0.142828 0.012402 -0.011982 0.013124 0.020275 0.018756 -0.001518 0.018198 -0.154331 -0.472129 -0.080573 -0.048589 -0.062223 0.048361 -0.042561 0.059103 0.515337 -0.320437 0.996460 -0.001417 -0.046561 -0.005645 0.085657 -0.117090 -0.361992 0.025441 -0.000161 0.009012 0.031384 0.042338 0.115238 0.001063 0.084299 -0.010393 0.014910 0.022244 0.015334 -0.034207 0.040570 0.433794 0.060368 -0.013447 -0.007455 -0.082132 -0.010562 0.092032 -0.413517 0.097651 0.078769 -0.021873 0.028559 0.002350 -0.215887 -0.013664 0.546866 -0.004864 -0.006006 -0.017128 -0.239411 -0.028317 -0.157075 -0.018536 0.021422 0.015630 0.060037 -0.106048 0.074963 0.099179 0.193780 -0.489241 0.024127 0.034624 0.012992 -0.059351 -0.044963 0.003028 0.344063 0.414482 1.232851 0.013302 0.030466 0.019655 0.262547 0.166079 -0.353893 -0.023779 0.018065 0.010678 0.272927 -0.040985 -0.247436 0.010304 0.034226 0.009154 0.057630 0.029319 -0.027889 -0.138326 -0.035864 0.021097 -0.016767 0.019553 -0.007233 0.001286 0.007543 -0.016129 -0.041110 -0.013027 0.256917 -0.039469 -0.001215 0.018499 -0.182528 0.066893 0.265001 -0.105838 -0.127381 -0.753326 -0.017078 -0.000879 -0.020654 0.130378 0.068969 0.066307 0.003354 -0.008386 0.012733 -0.101767 -0.136475 -0.119377 -0.026501 -0.194103 0.027405 0.010991 0.026647 0.111010 -0.234467 -0.049664 0.270514 -0.010500 0.016656 0.008750 0.103338 0.046905 -0.327203 -0.075465 0.014190 0.056833 0.016745 0.017321 0.003916 0.000991 -0.043248 0.013516 0.186696 0.094705 0.314389 0.123792 0.183637 -0.140252 0.083788 0.119051 -0.089098 0.018952 -0.021737 0.013341 0.027533 0.007105 0.020601 0.015335 0.021194 -0.033339 0.058467 0.028694 0.009461 -0.026086 -0.002746 -0.019701 0.012741 -0.032905 0.015564 0.157398 0.009649 -0.573031 0.020938 -0.013766 -0.658214 0.065023 0.050484 0.005034 -0.007747 -0.027223 0.033292 -0.007057 0.005889 -0.003610 -0.039844 0.017372 0.020105 0.182153 -0.096007 -0.086094 -0.020511 0.003469 0.022649 -0.041824 0.043430 -0.105679 -0.167650 -0.046989 -0.125164 0.036097 0.013748 -0.013948 -0.167428 -0.078269 0.079139 -0.034485 -0.004457 -0.020391 0.015397 0.023468 -0.017552 0.011929 0.028912 -0.020126 -0.074363 -0.168932 -0.160533 -0.563116 -0.176376 0.397178 0.003919 0.073473 -0.037400 0.039714 0.013270 0.189471 0.017804 -0.001265 -0.045548 -0.029802 0.032348 -0.142358 0.014390 -0.006792 0.010190 0.014429 0.011771 -0.004395 0.010672 -0.154733 -0.471589 -0.084921 -0.051403 -0.063542 0.040669 -0.052023 0.054931 0.518166 -0.320764 0.994251 -0.002729 -0.050263 -0.004292 0.086171 -0.116910 -0.362262 0.022539 -0.001223 0.006791 0.030975 0.042600 0.116312 0.000114 0.085408 -0.009587 0.016731 0.019126 0.013819 -0.026641 0.040724 0.434938 0.063234 -0.011864 -0.008050 -0.077326 -0.015304 0.094639 -0.413168 0.098034 0.078087 -0.022427 0.027542 0.005758 -0.216085 -0.013476 0.546078 -0.007844 -0.007711 -0.019746 -0.238766 -0.028408 -0.156605 -0.020154 0.019427 0.014450 0.096613 -0.121534 -0.152121 0.094352 0.193898 -0.489185 0.027172 0.037092 0.009449 -0.057520 -0.045492 0.002212 0.344161 0.414676 1.231884 0.013357 0.029981 0.019667 0.262731 0.165567 -0.353853 -0.025006 0.016828 0.007812 0.272543 -0.041319 -0.246399 0.011412 0.036729 0.010205 0.069138 0.029009 -0.025226 -0.133376 -0.035999 0.021058 -0.015919 0.019480 -0.009049 0.003473 0.004893 -0.015658 -0.036054 -0.016893 0.229180 -0.035707 0.000594 0.010909 -0.182969 0.067285 0.265279 -0.107427 -0.127115 -0.756160 -0.016296 -0.002265 -0.015293 0.098113 0.073691 0.064495 0.007068 -0.000950 0.014298 -0.100780 -0.139187 -0.117880 -0.023746 -0.124458 0.027542 0.014123 0.029703 0.103276 -0.234807 -0.049748 0.270623 -0.009338 0.015617 0.025827 0.102236 0.049971 -0.325834 -0.067817 0.013467 0.057591 0.008445 0.012688 0.003370 -0.001511 -0.034032 0.017609 0.186918 0.093623 0.314973 0.122830 0.181851 -0.137202 0.083571 0.119352 -0.088173 0.020092 -0.021144 0.010028 0.022769 0.003976 0.017532 0.019209 0.020125 -0.030749 0.056298 0.028252 0.008483 -0.023893 -0.001745 -0.015232 0.009540 -0.030610 0.013046 0.157194 0.010002 -0.573109 0.021144 -0.013480 -0.656973 0.066265 0.048620 0.005046 -0.007360 -0.021224 0.031253 -0.007605 0.001257 -0.002911 -0.033393 0.013624 0.020830 0.182372 -0.095060 -0.086435 -0.013984 0.000822 0.020674 -0.042210 0.043496 -0.106028 -0.167675 -0.046827 -0.124264 0.030856 0.016694 -0.013450 -0.167439 -0.076220 0.079971 -0.031730 -0.002556 -0.018937 0.018293 0.019361 -0.013398 0.011608 0.036106 -0.016178 -0.073451 -0.169406 -0.164141 -0.564629 -0.174790 0.392355 0.002104 0.063803 -0.039431 0.037983 0.011968 0.190064 0.015164 0.005124 -0.043464 -0.029635 0.033591 -0.142168 0.016016 -0.002706 0.011525 0.010917 0.001374 -0.004020 0.010755 -0.154452 -0.468303 -0.079436 -0.045679 -0.055197 0.038965 -0.055677 0.046011 0.519593 -0.318030 0.995289 -0.005404 -0.043915 -0.011522 0.087460 -0.117196 -0.363297 0.017692 0.000923 0.005083 0.030742 0.045399 0.116741 -0.000247 0.064642 -0.004677 0.016180 0.010290 0.008029 -0.027211 0.040930 0.435736 0.057900 -0.005690 -0.003610 -0.044728 -0.017731 0.086297 -0.411958 0.098242 0.078270 -0.020481 0.017250 0.007789 -0.215589 -0.011998 0.548180 -0.010012 -0.013673 -0.019984 -0.238325 -0.029426 -0.155983 -0.021093 0.018523 0.013931 0.083722 -0.115842 -0.130852 0.091999 0.193812 -0.489279 0.026360 0.028192 0.004058 -0.052151 -0.042054 -0.002175 0.342716 0.408419 1.230564 0.010010 0.019348 0.015034 0.261872 0.165509 -0.351230 -0.023794 0.014365 0.004172 0.272008 -0.044329 -0.246150 0.010891 0.016294 0.013733 0.063234 0.029879 -0.021867 -0.131042 -0.035893 0.021148 -0.014160 0.011538 -0.008098 0.011862 0.002405 -0.012194 -0.019832 -0.029507 0.144210 -0.017256 0.009457 -0.004349 -0.183653 0.067782 0.266044 -0.112836 -0.126856 -0.765720 -0.012492 -0.009532 -0.002437 -0.006073 0.094255 0.060187 0.020285 0.027274 0.018731 -0.098309 -0.147917 -0.115671 -0.020287 0.087796 0.026672 0.019194 0.042907 0.083541 -0.235418 -0.050076 0.271055 -0.004314 0.011878 0.073806 0.099063 0.059062 -0.321414 -0.042887 0.009603 0.057614 -0.014885 -0.005656 0.002265 -0.010265 -0.006740 0.032184 0.187011 0.091232 0.316377 0.120684 0.178789 -0.127741 0.084928 0.119689 -0.084683 0.021823 -0.014319 0.001536 0.008294 -0.005305 0.009562 0.031275 0.016312 -0.023235 0.048906 0.028267 0.006241 -0.019118 0.000208 -0.001224 0.001241 -0.024678 0.003117 0.157167 0.010710 -0.573796 0.022393 -0.013135 -0.654388 0.070657 0.043491 0.002518 -0.003287 -0.002317 0.025732 -0.009985 -0.009190 -0.001592 -0.013135 0.003463 0.024247 0.182903 -0.092805 -0.087957 0.007729 -0.006953 0.013068 -0.043314 0.043340 -0.107737 -0.167447 -0.046879 -0.121811 0.010674 0.025965 -0.010741 -0.167983 -0.071189 0.081886 -0.026489 -0.002218 -0.015162 0.027182 0.006339 -0.001081 0.010284 0.053251 -0.005310 -0.070132 -0.171964 -0.174515 -0.573078 -0.171332 0.374491 -0.003696 0.029822 -0.046277 0.032972 0.008928 0.186980 0.005395 0.019065 -0.029462 -0.029495 0.035541 -0.141660 0.018500 0.011638 0.008615 0.000704 -0.024267 -0.000284 0.008509 -0.153869 -0.458412 -0.061598 -0.021085 -0.032527 0.031652 -0.054014 0.017587 0.528826 -0.310438 0.992944 -0.009837 -0.023875 -0.026331 0.091643 -0.117475 -0.368929 0.002484 0.006695 -0.001658 0.031457 0.047658 0.116655 -0.000949 -0.010540 0.006119 0.011638 -0.019726 -0.008123 -0.025420 0.040983 0.438919 0.042837 0.011060 0.003471 0.052248 -0.039204 0.063117 -0.408316 0.098879 0.076956 -0.010944 -0.006177 0.013574 -0.213250 -0.009272 0.552825 -0.011851 -0.026731 -0.017394 -0.237141 -0.031497 -0.155120 -0.019987 0.013172 0.006832 0.050647 -0.093783 -0.034764 0.093252 0.192754 -0.490014 0.028671 -0.003599 -0.003986 -0.033780 -0.023319 -0.010708 0.338708 0.389379 1.227313 0.001624 -0.013840 0.000428 0.259030 0.164339 -0.345808 -0.017597 0.004870 -0.010677 0.271373 -0.048019 -0.246325 0.004295 -0.045630 0.020962 0.033175 0.028988 -0.014482 -0.131851 -0.035873 0.020409 -0.016104 -0.012404 -0.005304 0.032956 -0.001636 0.000021 0.015704 -0.059691 -0.039326 0.020642 0.022078 -0.035529 -0.184197 0.068385 0.266369 -0.124579 -0.126729 -0.784171 -0.003334 -0.022641 0.018976 -0.176482 0.123111 0.040142 0.048504 0.078995 0.028803 -0.093833 -0.165524 -0.110704 -0.006992 0.495783 0.017151 0.035844 0.070859 0.038890 -0.235813 -0.050346 0.270984 0.004985 0.006905 0.174771 0.092403 0.077282 -0.313252 0.006108 0.003608 0.055186 -0.061563 -0.038832 -0.000793 -0.027741 0.050198 0.062404 0.185885 0.087237 0.318068 0.115956 0.172815 -0.107965 0.086444 0.120418 -0.077130 0.028346 -0.000050 -0.018069 -0.018279 -0.022818 -0.007823 0.053238 0.009488 -0.008253 0.032444 0.026530 0.002885 -0.008968 0.004497 0.028490 -0.015943 -0.011402 -0.016145 0.156716 0.012253 -0.575941 0.024321 -0.012667 -0.649425 0.079323 0.032609 -0.001872 0.005660 0.038908 0.012282 -0.016746 -0.030890 -0.000065 0.024989 -0.016634 0.031475 0.183027 -0.088718 -0.091975 0.047856 -0.021232 -0.002571 -0.045760 0.042893 -0.112111 -0.167412 -0.046857 -0.118093 -0.020988 0.043650 -0.006724 -0.168572 -0.060981 0.085686 -0.013771 0.000115 -0.007522 0.042076 -0.016906 0.028275 0.006718 0.088430 0.019330 -0.063874 -0.176702 -0.194841 -0.588294 -0.165246 0.339431 -0.024559 -0.032958 -0.050497 0.023133 0.003738 0.183640 -0.007857 0.040062 -0.001044 -0.030561 0.038891 -0.141578 0.019727 0.033552 -0.001287 -0.025644 -0.071950 0.007107 0.005881 -0.153134 -0.441176 -0.037516 0.021943 -0.002026 0.014728 -0.057949 -0.029979 0.545390 -0.297357 0.986834 -0.020075 0.016803 -0.049986 0.099834 -0.118293 -0.378516 -0.025316 0.010055 -0.013352 0.032897 0.051583 0.116318 -0.003134 -0.140483 0.027982 0.011107 -0.072686 -0.038220 -0.024025 0.040620 0.443799 0.024531 0.040128 0.010986 0.229427 -0.073165 0.027694 -0.401729 0.100844 0.077011 0.004194 -0.049696 0.029300 -0.210337 -0.004468 0.561730 -0.021070 -0.051842 -0.011469 -0.235561 -0.035067 -0.154327 -0.017690 0.009171 -0.005214 -0.017574 -0.049803 0.171858 0.099210 0.190774 -0.491882 0.028831 -0.069112 -0.029964 -0.014572 0.006745 -0.022450 0.330443 0.354063 1.218139 -0.019769 -0.070530 -0.017247 0.254408 0.162242 -0.334854 -0.011457 -0.008501 -0.032811 0.269970 -0.054548 -0.247727 -0.005533 -0.180932 0.034635 -0.012293 0.033629 0.003173 -0.137370 -0.035318 0.018661 -0.015475 -0.058473 -0.000930 0.071357 -0.010756 0.018373 -0.006701 -0.040821 0.074863 -0.002968 0.015181 -0.016434 -0.184798 0.067630 0.266081 -0.117559 -0.127112 -0.773018 -0.008462 -0.015292 0.006291 -0.076487 0.108173 0.051229 0.031137 0.046575 0.020357 -0.096581 -0.154753 -0.113428 -0.015795 0.244197 0.021655 0.024542 0.053157 0.068293 -0.236503 -0.050019 0.271219 -0.001738 0.010471 0.111956 0.096193 0.066262 -0.319039 -0.024446 0.008401 0.055694 -0.032425 -0.018279 0.000773 -0.017606 0.014164 0.042854 0.187963 0.089739 0.316728 0.119060 0.176247 -0.121739 0.085153 0.119786 -0.082912 0.025128 -0.008907 -0.005893 -0.002679 -0.011873 0.001551 0.040077 0.013430 -0.017160 0.042843 0.026823 0.003254 -0.015516 0.001580 0.009770 -0.005449 -0.019166 -0.003941 0.157169 0.011170 -0.574809 0.023487 -0.013084 -0.652423 0.074269 0.039079 -0.000044 0.000399 0.012530 0.020795 -0.013235 -0.017226 -0.000993 0.001690 -0.004845 0.027598 0.183669 -0.091440 -0.089389 0.022988 -0.012455 0.007070 -0.044473 0.043018 -0.109492 -0.167500 -0.046972 -0.120339 -0.002046 0.033177 -0.009707 -0.167770 -0.067362 0.083262 -0.021524 -0.001564 -0.012217 0.032726 -0.004024 0.009247 0.009565 0.067326 0.001564 -0.067771 -0.173336 -0.182719 -0.577936 -0.169390 0.362505 -0.012735 0.010742 -0.046474 0.029197 0.008503 0.186303 0.002433 0.029001 -0.018781 -0.029043 0.036015 -0.141549 0.018522 0.015823 0.005719 -0.009767 -0.039087 0.004915 0.000794 -0.154292 -0.451584 -0.058202 -0.007919 -0.026735 0.026566 -0.055051 0.003232 0.534293 -0.306751 0.990308 -0.013795 -0.011221 -0.032298 0.094720 -0.117963 -0.372283 -0.007339 0.005530 -0.007521 0.031099 0.048223 0.118012 -0.000479 -0.060442 0.013851 0.013197 -0.037310 -0.017900 -0.018103 0.040631 0.439971 0.039049 0.021449 0.004096 0.123461 -0.046599 0.051293 -0.405977 0.099678 0.077387 -0.004355 -0.021075 0.019280 -0.212996 -0.009048 0.555242 -0.015579 -0.035892 -0.014363 -0.235948 -0.032297 -0.154366 -0.019895 0.012532 0.002259 0.026634 -0.082431 0.045569 0.091856 0.192217 -0.490351 0.027560 -0.025844 -0.012361 -0.029654 -0.012914 -0.016520 0.335378 0.376563 1.222688 -0.007430 -0.033487 -0.001463 0.258053 0.163464 -0.342172 -0.016025 -0.000525 -0.016728 0.270189 -0.049730 -0.246067 0.001270 -0.097623 0.026351 0.022134 0.028596 -0.007641 -0.130375 -0.035715 0.020234 -0.012210 -0.028251 -0.004372 0.043408 -0.007700 0.005906 0.008723 -0.051605 -0.016804 0.005036 0.021224 -0.019733 -0.182516 0.067769 0.266807 -0.114644 -0.125128 -0.772273 0.009902 -0.009084 0.010463 -0.032587 0.051476 0.035698 0.025077 0.035126 0.018660 -0.095025 -0.153652 -0.107139 -0.002919 0.137287 0.013200 0.020448 0.037890 0.032626 -0.234776 -0.050351 0.270726 0.003860 0.005225 0.088008 0.094303 0.066148 -0.316262 0.003814 -0.000961 0.040580 -0.024577 -0.021225 -0.001150 -0.018674 0.018299 0.034969 0.185468 0.089273 0.317266 0.118504 0.177340 -0.124558 0.085192 0.117049 -0.078187 0.006131 -0.000171 -0.011667 -0.005352 -0.008964 0.005064 0.014866 0.013116 -0.017806 0.029773 0.019850 0.000413 -0.014445 0.005534 0.011731 -0.008915 -0.009109 -0.006247 0.157017 0.010771 -0.574722 0.023797 -0.013121 -0.651918 0.071150 0.037503 0.002504 -0.003542 0.022112 0.017421 -0.011043 -0.011033 -0.002176 0.013179 -0.007044 0.023096 0.181993 -0.090593 -0.089608 0.012701 -0.009107 0.000454 -0.044698 0.043324 -0.108371 -0.167314 -0.047342 -0.119808 0.000556 0.026233 -0.009896 -0.167721 -0.068043 0.084441 -0.014506 -0.000310 -0.017147 0.025553 -0.003392 0.017858 0.005749 0.066047 0.009274 -0.065735 -0.170200 -0.172304 -0.585174 -0.168952 0.361519 -0.008427 -0.000094 -0.019130 0.030934 0.004137 0.186041 0.003102 0.025759 -0.006821 -0.030333 0.036325 -0.142175 0.013413 0.010887 0.009494 -0.009993 -0.029972 0.011540 0.009438 -0.154262 -0.448684 -0.043131 -0.002211 -0.015639 0.004645 -0.036347 -0.000298 0.541108 -0.308573 0.992733 -0.002646 -0.006770 -0.030816 0.094703 -0.118210 -0.371886 -0.009735 0.010650 -0.007199 0.032415 0.049974 0.115797 -0.001554 -0.033471 0.015575 0.012191 -0.045600 -0.021281 -0.027310 0.039968 0.442023 0.025810 0.016577 0.001329 0.109507 -0.027642 0.046835 -0.404232 0.100338 0.077407 0.001408 -0.020901 0.020682 -0.214151 -0.006381 0.555788 -0.018800 -0.036929 0.000257 -0.236323 -0.032733 -0.155975 -0.015231 0.012961 0.001807 -0.002035 -0.056439 0.149033 0.101237 0.191887 -0.491345 0.026485 -0.019596 -0.009719 -0.024247 -0.006384 -0.012716 0.333016 0.382163 1.225248 -0.009777 -0.023443 -0.004418 0.257384 0.162465 -0.343203 -0.006439 0.004011 -0.013870 0.270502 -0.051016 -0.248056 -0.003515 -0.055051 0.021525 -0.000941 0.033283 -0.003792 -0.139574 -0.035144 0.019053 -0.018445 -0.017339 -0.000723 0.050914 -0.006085 0.010576 0.040215 -0.075945 -0.197417 0.009383 0.036564 -0.022638 -0.185052 0.067321 0.269729 -0.110380 -0.121511 -0.773853 0.046537 -0.001266 0.015822 0.048930 -0.074970 -0.009144 0.015500 0.010568 0.014942 -0.092307 -0.152074 -0.094128 0.023026 -0.081866 0.000053 0.014319 0.007231 -0.032202 -0.238391 -0.050404 0.272638 0.012331 -0.006437 0.039494 0.088276 0.066798 -0.314202 0.058615 -0.016372 0.008989 -0.008654 -0.027152 -0.002538 -0.022377 0.027105 0.015814 0.189194 0.086567 0.317520 0.119441 0.177988 -0.140946 0.082872 0.111207 -0.076392 -0.030867 0.014099 -0.021584 -0.011279 -0.003204 0.011451 -0.034631 0.010523 -0.017251 0.011502 -0.001625 -0.012670 -0.014571 0.011891 0.014174 -0.014819 0.011286 -0.010309 0.157599 0.009479 -0.575429 0.026486 -0.012943 -0.649827 0.066946 0.034388 0.001118 -0.009878 0.043734 0.010545 -0.008241 0.001278 -0.002274 0.035388 -0.013870 0.014441 0.183724 -0.088550 -0.089662 -0.008416 -0.002861 -0.010415 -0.046956 0.043922 -0.106416 -0.167746 -0.048124 -0.118156 0.000561 0.018235 -0.007555 -0.166871 -0.069444 0.084482 -0.002886 0.000518 -0.027779 0.013540 -0.007418 0.032997 0.001393 0.064629 0.019251 -0.061190 -0.162533 -0.156083 -0.594679 -0.167161 0.357824 0.000221 -0.021725 0.046024 0.033478 0.004058 0.184524 0.000515 0.017718 0.017854 -0.028438 0.036215 -0.141685 0.000927 0.002195 0.015322 -0.016676 -0.005085 0.025547 -0.006466 -0.155610 -0.435815 -0.010483 0.011873 0.004687 -0.043721 0.007773 -0.004320 0.549700 -0.313459 0.992995 0.019762 0.004388 -0.019444 0.094097 -0.119074 -0.373218 -0.016574 0.021800 -0.009050 0.031096 0.056796 0.118792 -0.004740 0.026599 0.017930 0.012329 -0.058301 -0.026602 -0.012060 0.038683 0.443375 0.005586 0.007854 -0.001065 0.087746 0.034983 0.046326 -0.399915 0.101145 0.077852 0.017247 -0.026847 0.017461 -0.217615 -0.009595 0.554942 -0.025150 -0.037980 0.032759 -0.233657 -0.032852 -0.155561 -0.001096 0.016277 -0.005072 -0.067530 0.011324 0.356880 0.089620 0.192344 -0.491192 0.014926 -0.005552 -0.003676 -0.008232 0.013910 -0.008753 0.327144 0.394097 1.225468 -0.018029 -0.000898 -0.008012 0.256667 0.160688 -0.347582 0.017913 0.004127 -0.000804 0.267846 -0.057281 -0.245806 -0.013240 0.025822 0.008695 -0.027198 0.026355 0.010195 -0.127508 -0.034004 0.019082 -0.021174 0.006528 0.007058 0.057093 -0.014893 0.021477 -0.030055 -0.029005 0.242611 0.011133 0.039984 -0.016930 -0.183576 0.067313 0.269910 -0.107367 -0.120673 -0.773235 0.049627 0.002614 0.015309 0.074403 -0.106287 -0.010857 0.006675 0.002533 0.012911 -0.091909 -0.150406 -0.091089 0.020476 -0.128805 -0.004760 0.010203 -0.012578 -0.049450 -0.237084 -0.050507 0.272490 0.014531 -0.006772 0.015191 0.086030 0.066548 -0.312126 0.042901 -0.020992 0.008749 -0.004439 -0.024625 -0.002271 -0.019422 0.025320 0.004237 0.187191 0.085608 0.316930 0.120026 0.177776 -0.139275 0.081961 0.109771 -0.073395 -0.036609 0.016837 -0.022374 -0.011404 -0.002092 0.007315 -0.045161 0.008793 -0.017618 0.009826 -0.007278 -0.013704 -0.011849 0.014571 0.013059 -0.014514 0.016521 -0.011194 0.157268 0.009298 -0.576020 0.026601 -0.012940 -0.649131 0.063667 0.033578 0.000785 -0.010345 0.048489 0.009809 -0.006630 0.002452 -0.004110 0.040831 -0.013884 0.009967 0.182237 -0.087795 -0.090395 -0.013408 -0.001609 -0.014869 -0.047598 0.044249 -0.105941 -0.167926 -0.048413 -0.118239 0.005063 0.009886 -0.008696 -0.166424 -0.070390 0.086715 0.002326 0.003842 -0.024022 0.006635 -0.007102 0.037332 -0.002030 0.061219 0.020855 -0.060234 -0.160036 -0.150322 -0.598063 -0.167388 0.360077 -0.002316 -0.018872 0.065361 0.033411 0.003462 0.184149 -0.001463 0.017535 0.022941 -0.029775 0.036133 -0.141883 -0.002450 -0.001775 0.017195 -0.011541 0.001626 0.024677 -0.001336 -0.155531 -0.431523 -0.000514 0.015909 0.011141 -0.047795 0.018835 -0.003979 0.552298 -0.313935 0.994086 0.022955 0.009686 -0.012670 0.094406 -0.119208 -0.372458 -0.012827 0.026177 -0.004755 0.031935 0.059003 0.117835 -0.004138 0.039791 0.016076 0.010264 -0.058256 -0.025982 -0.017837 0.038136 0.444097 0.002395 0.001902 -0.004130 0.074920 0.046657 0.049516 -0.399270 0.102473 0.078019 0.022131 -0.023466 0.012310 -0.218221 -0.010357 0.555407 -0.028926 -0.033660 0.041452 -0.234168 -0.032827 -0.156508 0.002099 0.015578 -0.005237 0.028727 -0.031595 -0.091884 0.095730 0.192112 -0.491370 0.012621 -0.001047 0.001781 -0.005586 0.021019 -0.009274 0.326035 0.395581 1.227382 -0.018354 0.002830 -0.006044 0.255121 0.160605 -0.347627 0.022809 0.005294 0.003818 0.267915 -0.059260 -0.246744 -0.014620 0.040982 0.004597 -0.035500 0.024918 0.008428 -0.133775 -0.033412 0.018418 -0.020896 0.011445 0.008996 0.051971 -0.012112 0.020157 -0.032352 -0.027545 0.257580 0.010964 0.040189 -0.015421 -0.183258 0.067307 0.270032 -0.107258 -0.120747 -0.773156 0.049685 0.002665 0.015419 0.076482 -0.107793 -0.013360 0.004793 0.001699 0.012937 -0.091849 -0.150399 -0.090871 0.020515 -0.129825 -0.004503 0.010255 -0.012211 -0.048962 -0.236811 -0.050572 0.272569 0.014598 -0.006706 0.014742 0.086009 0.066443 -0.311743 0.042454 -0.021173 0.009253 -0.004120 -0.024672 -0.001734 -0.019306 0.025165 0.004158 0.186792 0.085432 0.317102 0.120139 0.177772 -0.138317 0.082012 0.109704 -0.072717 -0.036681 0.016749 -0.021458 -0.011465 -0.001853 0.007492 -0.045298 0.008426 -0.016180 0.009398 -0.007088 -0.013205 -0.011267 0.014466 0.013657 -0.014331 0.016860 -0.011088 0.157241 0.009263 -0.576023 0.026532 -0.012996 -0.648996 0.063655 0.033524 0.000443 -0.010331 0.048688 0.009392 -0.006742 0.002421 -0.003904 0.041636 -0.013908 0.010125 0.182038 -0.087755 -0.090267 -0.013626 -0.001625 -0.014667 -0.047509 0.044220 -0.105842 -0.167804 -0.048463 -0.118109 0.004612 0.009818 -0.008218 -0.166449 -0.070419 0.087137 0.002192 0.003591 -0.023582 0.006803 -0.007621 0.037608 -0.002587 0.061823 0.021478 -0.060179 -0.159921 -0.149691 -0.598869 -0.167292 0.360211 -0.002127 -0.021630 0.066852 0.033290 0.003363 0.183829 -0.002386 0.016278 0.023437 -0.029848 0.036112 -0.141866 -0.003081 -0.001487 0.016211 -0.011289 0.001209 0.024626 0.000513 -0.155469 -0.431564 0.004129 0.017012 0.014163 -0.048377 0.019954 -0.005069 0.553329 -0.314038 0.993767 0.022837 0.011130 -0.012213 0.094616 -0.119175 -0.372476 -0.012705 0.025625 -0.004848 0.032186 0.059333 0.117207 -0.004163 0.039872 0.014961 0.008803 -0.057433 -0.024620 -0.019583 0.038186 0.444397 0.000231 0.001589 -0.004197 0.071719 0.044036 0.046920 -0.399235 0.102511 0.078261 0.022601 -0.022624 0.009251 -0.218421 -0.010426 0.555249 -0.027127 -0.031253 0.040669 -0.234300 -0.032825 -0.156666 0.003260 0.013710 -0.005913 0.033066 -0.032110 -0.111488 0.097492 0.191956 -0.491315 0.010511 0.000363 0.001214 -0.002483 0.022891 -0.007780 0.326001 0.395594 1.226915 -0.018065 0.002779 -0.007162 0.255212 0.160416 -0.347758 0.023268 0.005159 0.002447 0.268133 -0.059699 -0.247004 -0.015370 0.041807 0.004308 -0.039132 0.023565 0.010289 -0.135421 -0.033498 0.018200 -0.018333 0.011782 0.008928 0.049540 -0.010206 0.020515 -0.028438 -0.031248 0.234883 0.012752 0.037462 -0.008567 -0.183751 0.067237 0.270098 -0.104666 -0.121353 -0.773332 0.036792 0.004918 0.012676 0.066956 -0.087938 -0.003449 -0.001079 -0.000444 0.013180 -0.091965 -0.148941 -0.091492 0.009765 -0.091319 -0.006599 0.003128 -0.023623 -0.043052 -0.236964 -0.050688 0.273368 0.011458 -0.000595 -0.000048 0.084732 0.066163 -0.310445 0.022650 -0.018860 0.009775 -0.005450 -0.016413 0.000298 -0.012814 0.017203 -0.006968 0.187528 0.084488 0.316652 0.121546 0.176287 -0.133935 0.081072 0.109891 -0.072815 -0.027651 0.013533 -0.017440 -0.010779 -0.004149 -0.002286 -0.034575 0.005081 -0.015667 0.012966 -0.011404 -0.013193 -0.007783 0.015099 0.010748 -0.011395 0.015643 -0.010987 0.157289 0.009212 -0.576957 0.027159 -0.012802 -0.648641 0.061454 0.033294 -0.001262 -0.006444 0.045892 0.008473 -0.003131 -0.001681 -0.006414 0.041438 -0.011757 0.006801 0.182339 -0.087259 -0.090630 -0.009664 -0.001863 -0.015445 -0.047890 0.044364 -0.105367 -0.167988 -0.048666 -0.117980 0.010762 0.000807 -0.007453 -0.165744 -0.071181 0.089474 0.006531 0.006913 -0.013665 0.002838 -0.006523 0.037751 -0.005377 0.059567 0.018814 -0.060069 -0.159572 -0.151072 -0.600541 -0.167795 0.362585 -0.010972 -0.016485 0.073473 0.031936 0.004003 0.182325 -0.005260 0.017080 0.024730 -0.029200 0.036165 -0.141709 -0.002480 -0.001968 0.014264 -0.007246 -0.003530 0.015367 -0.002275 -0.155654 -0.427943 0.010649 0.015474 0.013427 -0.030998 0.010906 -0.004785 0.554629 -0.312506 0.994045 0.016657 0.016028 -0.004278 0.095459 -0.119231 -0.372792 -0.005953 0.023553 0.000516 0.031600 0.062290 0.118189 -0.002776 0.028792 0.012009 0.008173 -0.052514 -0.018337 -0.016908 0.038120 0.444885 0.000424 -0.000286 -0.005058 0.060275 0.041253 0.051351 -0.398712 0.103773 0.076606 0.021940 -0.015044 0.002467 -0.217786 -0.012011 0.554968 -0.026636 -0.027661 0.040502 -0.233477 -0.032931 -0.156436 0.004099 0.012185 -0.006550 0.037923 -0.027117 -0.097113 0.094053 0.191968 -0.491000 0.006996 -0.002708 0.005914 0.001251 0.029641 -0.005266 0.326131 0.391774 1.228179 -0.016861 0.000297 -0.005889 0.253256 0.160938 -0.347593 0.020038 0.005508 0.005385 0.267315 -0.062941 -0.246446 -0.016252 0.029660 0.000879 -0.032090 0.021356 0.006989 -0.131594 -0.033433 0.018196 -0.013057 0.008878 0.009027 0.040727 -0.010604 0.017090 -0.016038 -0.043828 0.165214 0.023305 0.032525 0.019523 -0.183669 0.066896 0.270967 -0.098115 -0.123244 -0.773173 0.003251 0.014094 0.004693 0.037635 -0.040083 0.012765 -0.021345 -0.009769 0.010116 -0.092894 -0.145047 -0.091713 -0.026912 0.019508 -0.006822 -0.018960 -0.057804 -0.026404 -0.235958 -0.050809 0.276169 0.002655 0.017067 -0.037029 0.081168 0.064691 -0.305312 -0.032035 -0.010922 0.010689 -0.008446 0.006023 0.006884 0.005837 -0.004252 -0.037452 0.186944 0.083442 0.316716 0.125123 0.173930 -0.116509 0.078739 0.110493 -0.069450 0.000230 0.003793 -0.004053 -0.006930 -0.006503 -0.029553 -0.004614 -0.003779 -0.010415 0.017123 -0.022544 -0.011707 0.002869 0.017264 0.004544 -0.003015 0.013816 -0.009898 0.157394 0.009290 -0.578564 0.028730 -0.012432 -0.647646 0.055372 0.032492 -0.005883 0.004763 0.038817 0.003901 0.006425 -0.011332 -0.011978 0.042931 -0.005603 -0.002183 0.181715 -0.086368 -0.090904 0.001643 -0.002363 -0.016996 -0.049024 0.044690 -0.103389 -0.168562 -0.049161 -0.117020 0.030288 -0.022099 -0.006843 -0.164469 -0.073364 0.098372 0.016008 0.014777 0.019866 -0.008321 -0.006643 0.038740 -0.014047 0.054999 0.014241 -0.059781 -0.159087 -0.151849 -0.611568 -0.169339 0.369880 -0.033730 -0.004652 0.086540 0.027718 0.001714 0.176649 -0.020035 0.014804 0.030453 -0.029589 0.035664 -0.141797 -0.005140 -0.006611 0.007788 0.010391 -0.023609 -0.009130 -0.005108 -0.156655 -0.421680 0.041093 0.015060 0.034567 0.021454 -0.013594 -0.009022 0.564856 -0.308538 0.992214 -0.005563 0.033305 0.021891 0.098404 -0.120282 -0.373977 0.014235 0.019019 0.018344 0.031817 0.066355 0.118845 0.003722 -0.011529 -0.003595 0.004147 -0.025904 -0.001307 -0.015002 0.037426 0.447175 -0.009561 -0.005900 -0.006850 0.010511 0.038009 0.044606 -0.398347 0.108867 0.074784 0.019260 0.005627 -0.028744 -0.215826 -0.012798 0.554534 -0.012966 -0.000700 0.034953 -0.233085 -0.032459 -0.157228 0.010845 -0.006427 0.000001 0.060140 -0.000314 -0.067444 0.096873 0.191975 -0.490530 -0.008325 -0.014001 0.015397 0.017702 0.052259 0.007641 0.327139 0.380398 1.233270 -0.011097 -0.009287 -0.011857 0.246504 0.163395 -0.347112 0.012296 -0.000190 0.008893 0.266566 -0.068071 -0.246434 -0.013768 -0.000436 -0.016591 -0.015213 0.001793 0.010427 -0.134107 -0.032868 0.017271 0.010320 -0.002621 0.008780 0.005024 -0.010453 0.007737 0.010748 -0.074593 0.019304 0.039381 0.022435 0.068681 -0.184423 0.066277 0.272354 -0.083580 -0.126853 -0.772663 -0.070044 0.028756 -0.013102 -0.035590 0.050713 0.038778 -0.060944 -0.023715 0.003577 -0.094618 -0.136522 -0.092207 -0.100869 0.237531 -0.006725 -0.060565 -0.111003 0.012350 -0.234589 -0.050831 0.281147 -0.020752 0.051626 -0.118056 0.074087 0.062094 -0.295036 -0.146532 0.003796 0.011019 -0.014742 0.059348 0.019708 0.044048 -0.045646 -0.100931 0.187683 0.081007 0.316379 0.132413 0.168671 -0.084563 0.073503 0.111929 -0.064613 0.055395 -0.013517 0.021173 0.000237 -0.013497 -0.086561 0.059811 -0.022318 -0.000563 0.037790 -0.048615 -0.006585 0.020533 0.025142 -0.010086 0.013146 0.011423 -0.007490 0.157739 0.009435 -0.583164 0.032238 -0.011353 -0.646516 0.042500 0.031114 -0.014360 0.029522 0.024416 -0.005382 0.022349 -0.031359 -0.023146 0.045442 0.007829 -0.016220 0.181593 -0.084213 -0.091528 0.023824 -0.003717 -0.020366 -0.051461 0.045446 -0.099221 -0.169855 -0.049880 -0.115195 0.067880 -0.076194 -0.003203 -0.160878 -0.077645 0.115605 0.033166 0.031467 0.085635 -0.029997 -0.010736 0.038642 -0.032189 0.052963 0.001001 -0.059291 -0.157652 -0.155002 -0.628643 -0.171989 0.383361 -0.081838 0.019778 0.118985 0.019781 -0.000111 0.167366 -0.049041 0.012752 0.040432 -0.028422 0.035883 -0.141815 -0.005573 -0.012585 -0.005809 0.040382 -0.065003 -0.051669 -0.012806 -0.158640 -0.406169 0.098001 0.013755 0.067304 0.134515 -0.064519 -0.017908 0.579780 -0.299754 0.993614 -0.048303 0.066413 0.068932 0.103524 -0.121878 -0.374692 0.056266 0.005008 0.048833 0.029897 0.073961 0.122581 0.013730 -0.082360 -0.031939 -0.005881 0.029529 0.028279 -0.009064 0.036647 0.450693 -0.021909 -0.012646 -0.007117 -0.069977 0.028185 0.026835 -0.396931 0.118318 0.068982 0.015134 0.038803 -0.077601 -0.211913 -0.016664 0.554781 -0.002794 0.034970 0.030854 -0.231003 -0.032375 -0.156971 0.024134 -0.043945 0.014161 0.108160 0.063443 0.012386 0.095390 0.192470 -0.488943 -0.037367 -0.025271 0.036488 0.046905 0.088667 0.029634 0.328276 0.357774 1.243367 0.003065 -0.025428 -0.024354 0.233533 0.168010 -0.345237 -0.001697 -0.007028 0.020030 0.263624 -0.077416 -0.245118 -0.010886 -0.075577 -0.049145 0.023628 -0.032338 0.008754 -0.131515 -0.032016 0.017197 0.052612 -0.021152 0.015450 -0.058882 -0.019229 -0.017682 -0.007909 -0.053595 0.118112 0.025481 0.030326 0.033572 -0.183401 0.066454 0.270743 -0.094021 -0.124567 -0.773009 -0.020037 0.019692 -0.000988 0.016372 -0.007050 0.020072 -0.035600 -0.014923 0.006028 -0.093332 -0.142438 -0.092001 -0.050090 0.089058 -0.010417 -0.030682 -0.073977 -0.014727 -0.235080 -0.050881 0.277110 -0.003642 0.028738 -0.062551 0.078731 0.063946 -0.302414 -0.067871 -0.006115 0.009435 -0.010335 0.022601 0.010582 0.017873 -0.018466 -0.057394 0.186346 0.082481 0.315835 0.127445 0.172121 -0.106125 0.077202 0.110762 -0.067952 0.016933 -0.001631 0.003253 -0.005151 -0.008215 -0.048565 0.015402 -0.009532 -0.007698 0.021696 -0.030124 -0.010430 0.008634 0.018859 0.000295 0.001869 0.012522 -0.009406 0.157357 0.009187 -0.579847 0.029636 -0.012269 -0.647351 0.051418 0.031869 -0.008727 0.012441 0.034218 0.000824 0.011983 -0.017735 -0.016118 0.043398 -0.001267 -0.006009 0.181195 -0.085874 -0.091714 0.008949 -0.002634 -0.018211 -0.049893 0.044768 -0.102724 -0.168984 -0.049549 -0.116950 0.044124 -0.038625 -0.006355 -0.163418 -0.074867 0.103481 0.021881 0.019279 0.038989 -0.015423 -0.007875 0.037848 -0.018673 0.055488 0.007734 -0.059778 -0.158732 -0.152930 -0.615732 -0.170230 0.375169 -0.049316 0.008515 0.096295 0.025404 0.001617 0.174862 -0.027331 0.013550 0.032558 -0.029673 0.035320 -0.142002 -0.004631 -0.007656 0.005756 0.017631 -0.035331 -0.021478 -0.005876 -0.157377 -0.416786 0.054055 0.013891 0.043070 0.052283 -0.030278 -0.009543 0.568735 -0.306326 0.992672 -0.017784 0.041370 0.032469 0.099031 -0.120638 -0.373970 0.026017 0.015341 0.027777 0.031341 0.067807 0.119994 0.008288 -0.034812 -0.011243 0.001655 -0.013124 0.004446 -0.014853 0.036986 0.447725 -0.010743 -0.008812 -0.008229 -0.004403 0.037225 0.044767 -0.398013 0.111067 0.072797 0.019347 0.017980 -0.039183 -0.214915 -0.014592 0.555022 -0.012205 0.006257 0.036219 -0.232874 -0.032393 -0.157221 0.013394 -0.014802 0.005752 0.072176 0.008605 -0.026723 0.099275 0.191954 -0.490140 -0.012768 -0.017144 0.018805 0.022922 0.061721 0.016682 0.327144 0.373636 1.235749 -0.006459 -0.014007 -0.014273 0.242912 0.164487 -0.346386 0.006504 -0.000086 0.011630 0.265788 -0.070382 -0.246415 -0.011654 -0.023846 -0.025510 -0.004333 -0.002684 0.008528 -0.136374 -0.032701 0.017364 0.019067 -0.009280 0.010198 -0.006076 -0.012254 -0.000501 0.045687 -0.085328 -0.175885 0.023011 0.032801 0.027507 -0.183912 0.066652 0.270117 -0.095326 -0.125337 -0.779528 -0.016389 0.011595 -0.001269 0.010315 0.001846 0.010367 -0.024381 -0.011429 0.006007 -0.094966 -0.143939 -0.092156 -0.014674 0.019501 -0.008958 -0.023918 -0.045175 -0.003028 -0.235710 -0.050709 0.276853 -0.003064 0.018106 -0.019675 0.079427 0.066991 -0.304881 -0.043972 0.002112 0.005104 0.001014 0.019052 0.010453 0.019536 -0.014014 -0.033363 0.186963 0.082521 0.313995 0.129375 0.172407 -0.112547 0.075776 0.111172 -0.065724 0.008743 0.003289 0.010316 -0.002612 -0.001467 -0.026897 0.001944 -0.006024 -0.005405 0.025683 -0.024343 -0.009605 0.006648 0.014230 -0.002489 -0.001355 0.008954 -0.008600 0.157520 0.009106 -0.581128 0.029548 -0.012089 -0.647974 0.052982 0.034452 -0.009311 0.007634 0.025474 0.002604 0.012884 -0.003883 -0.008682 0.033728 -0.000492 -0.004210 0.181364 -0.085725 -0.091976 0.000795 0.004129 -0.009882 -0.049766 0.045148 -0.104874 -0.169073 -0.049632 -0.117857 0.038826 -0.032648 0.000776 -0.163675 -0.077728 0.100260 0.022146 0.020468 0.032286 -0.008444 -0.013437 0.032486 -0.017878 0.049976 0.005075 -0.061449 -0.156993 -0.148442 -0.615290 -0.169251 0.375240 -0.032801 -0.001636 0.055924 0.026127 -0.000066 0.179546 -0.023319 0.009946 0.013272 -0.029138 0.035811 -0.141305 -0.001373 0.001913 0.000020 0.005091 -0.037698 -0.019132 -0.009637 -0.157909 -0.415580 0.045465 0.006594 0.044078 0.056629 -0.030077 -0.007838 0.569706 -0.309445 0.989062 -0.010200 0.026948 0.031211 0.099345 -0.121327 -0.371871 0.017031 0.009191 0.020630 0.030627 0.069815 0.121608 -0.000027 -0.017608 -0.011280 0.007155 -0.000591 0.002729 -0.011349 0.037102 0.449233 -0.008432 -0.005890 -0.004617 -0.005886 0.028849 0.045513 -0.396375 0.111897 0.073552 0.012227 0.010530 -0.037382 -0.217776 -0.013984 0.555444 -0.012333 0.010747 0.029218 -0.232819 -0.032474 -0.156135 0.011778 -0.019495 0.003181 0.007045 0.041495 0.264883 0.096493 0.192647 -0.489319 -0.020667 -0.003451 0.014140 0.022721 0.050213 0.012595 0.322547 0.378674 1.239547 -0.008603 -0.006970 -0.021361 0.244252 0.165098 -0.346381 0.006176 -0.003295 0.007472 0.265435 -0.071927 -0.245232 -0.011496 -0.001658 -0.023151 -0.011189 -0.005469 0.010377 -0.133895 -0.032457 0.018247 0.011165 -0.001170 0.009975 -0.005394 -0.023208 -0.005974 0.085089 -0.107313 -0.382769 0.023187 0.032950 0.025450 -0.183312 0.066763 0.269298 -0.095946 -0.125781 -0.784797 -0.016036 0.005221 -0.002734 0.007843 0.005032 0.008456 -0.015720 -0.009481 0.006824 -0.096229 -0.144899 -0.092937 0.012352 -0.030004 -0.009491 -0.018666 -0.022112 0.004725 -0.235230 -0.050689 0.276004 -0.001178 0.012989 0.009821 0.079347 0.069517 -0.305965 -0.024566 0.008528 0.002158 0.009247 0.016555 0.010603 0.021045 -0.010984 -0.015659 0.185465 0.081862 0.312319 0.131044 0.171829 -0.114676 0.074846 0.111458 -0.062380 0.002310 0.006707 0.015957 -0.001165 0.002716 -0.011743 -0.008706 -0.003403 -0.002971 0.026711 -0.018145 -0.008452 0.005260 0.011339 -0.003315 -0.003481 0.005485 -0.008495 0.157342 0.009056 -0.581168 0.028950 -0.012060 -0.648099 0.053775 0.036290 -0.010336 0.004232 0.019860 0.003723 0.013778 0.005664 -0.003187 0.026879 0.001110 -0.003091 0.180438 -0.085428 -0.092616 -0.005330 0.008659 -0.004252 -0.049871 0.045352 -0.106503 -0.169132 -0.049743 -0.118750 0.034674 -0.030689 0.006489 -0.163902 -0.079847 0.098152 0.022090 0.020809 0.027773 -0.003107 -0.015900 0.028507 -0.016653 0.048477 0.003713 -0.062781 -0.155631 -0.144771 -0.613261 -0.168509 0.373430 -0.018210 -0.007440 0.029429 0.026994 0.000110 0.180953 -0.019547 0.008058 0.001683 -0.029780 0.036257 -0.141484 0.000161 0.012406 -0.006996 -0.002595 -0.040644 -0.014350 -0.004616 -0.157759 -0.414290 0.041407 0.001905 0.040614 0.063091 -0.032437 -0.006356 0.568332 -0.311422 0.986900 -0.005488 0.018304 0.030174 0.098836 -0.121657 -0.371218 0.008152 0.008085 0.018191 0.030901 0.070211 0.120599 -0.005681 -0.001917 -0.013094 0.009194 0.002469 0.000708 -0.016661 0.037243 0.449513 -0.011325 -0.004352 -0.003242 -0.002804 0.017334 0.051012 -0.395690 0.112084 0.071610 0.007395 0.004504 -0.033588 -0.219612 -0.014894 0.554628 -0.011856 0.010556 0.022519 -0.233576 -0.032755 -0.156745 0.010126 -0.023003 0.000871 -0.034796 0.064747 0.476045 0.101369 0.192636 -0.489339 -0.027714 0.005229 0.009483 0.020105 0.044814 0.010711 0.319257 0.382063 1.238067 -0.011035 -0.002354 -0.024047 0.244724 0.165227 -0.347461 0.005107 -0.007721 0.002081 0.265736 -0.072068 -0.245624 -0.011712 0.009452 -0.019694 -0.023049 -0.005865 0.011249 -0.139319 -0.032451 0.017624 0.004332 0.004324 0.007071 -0.001789 -0.022889 -0.008449 0.077876 -0.099916 -0.337701 0.019909 0.029708 0.026553 -0.184054 0.066630 0.269068 -0.096920 -0.126187 -0.786633 -0.014175 0.002408 -0.001767 0.003377 0.007799 0.009437 -0.011069 -0.006588 0.006706 -0.096467 -0.144893 -0.092639 0.019482 -0.047165 -0.008804 -0.015972 -0.010411 0.008630 -0.235983 -0.050353 0.275958 -0.000192 0.009741 0.021544 0.080616 0.069502 -0.307154 -0.020140 0.010994 0.003143 0.012408 0.014091 0.009806 0.021463 -0.009403 -0.008264 0.186322 0.083461 0.312752 0.130537 0.172947 -0.117038 0.074006 0.111723 -0.062349 0.000582 0.008859 0.016403 -0.000545 0.004828 -0.005893 -0.013474 -0.002688 -0.001865 0.029205 -0.017653 -0.007986 0.004698 0.009182 -0.004043 -0.003924 0.004677 -0.007928 0.157685 0.009064 -0.581287 0.029147 -0.011972 -0.648502 0.054568 0.036733 -0.009557 0.002527 0.017328 0.003986 0.013039 0.009493 -0.000423 0.023734 0.000430 -0.002422 0.180902 -0.086057 -0.092396 -0.007254 0.010110 -0.001531 -0.049356 0.045440 -0.107015 -0.169174 -0.049682 -0.119093 0.032918 -0.027429 0.009155 -0.163979 -0.080258 0.097504 0.022242 0.019949 0.024616 0.000394 -0.016702 0.025880 -0.015667 0.048024 0.002776 -0.063485 -0.155750 -0.144290 -0.617214 -0.168026 0.373165 -0.010647 -0.013137 0.016404 0.027440 -0.004545 0.182073 -0.018270 0.008616 -0.004482 -0.029725 0.036148 -0.141359 -0.000214 0.014215 -0.009101 -0.008037 -0.040051 -0.014670 -0.009399 -0.158131 -0.418064 0.036630 -0.000238 0.045440 0.064559 -0.030837 -0.007434 0.573127 -0.312627 0.983475 -0.003233 0.013287 0.030878 0.099106 -0.121702 -0.371333 0.003665 0.002703 0.014955 0.031047 0.070575 0.121240 -0.008079 0.003483 -0.013238 0.011002 0.005597 0.000040 -0.012182 0.037312 0.450479 -0.009703 -0.004156 -0.003768 -0.002102 0.018692 0.053046 -0.395773 0.112361 0.073015 0.003922 0.003419 -0.037622 -0.220548 -0.010650 0.554379 -0.009342 0.011040 0.018274 -0.233704 -0.032470 -0.156449 0.009093 -0.022747 -0.000492 -0.028997 0.056708 0.439945 0.099235 0.192964 -0.489704 -0.034228 0.010563 0.006941 0.019645 0.041785 0.008995 0.318973 0.383694 1.236582 -0.010885 0.000095 -0.025081 0.245303 0.165392 -0.348016 0.003684 -0.007381 0.000247 0.265915 -0.072298 -0.245047 -0.011134 0.013002 -0.017935 -0.019520 -0.008285 0.012436 -0.137316 -0.032370 0.017844 0.005425 0.006806 0.006892 -0.003326 -0.028819 -0.010290 0.056455 -0.078515 -0.202284 0.011062 0.025937 0.023219 -0.183480 0.067016 0.268492 -0.097344 -0.126976 -0.792377 -0.010953 -0.003822 -0.001375 0.007579 0.019675 0.004747 -0.000378 -0.002584 0.006598 -0.097505 -0.145904 -0.092310 0.045026 -0.096986 -0.010013 -0.008553 0.017825 0.017658 -0.235546 -0.050597 0.275440 0.001526 -0.000513 0.059242 0.081596 0.072032 -0.308372 -0.006165 0.017194 0.006800 0.020537 0.009359 0.009241 0.022072 -0.002944 0.015707 0.185666 0.082930 0.311115 0.132180 0.171955 -0.120556 0.072937 0.112258 -0.059061 -0.006956 0.012494 0.022328 0.000898 0.009989 0.014959 -0.025342 0.000379 0.001891 0.033803 -0.011249 -0.005515 0.002925 0.004056 -0.004735 -0.006386 0.000682 -0.007061 0.157818 0.008980 -0.581015 0.028675 -0.011949 -0.648285 0.055867 0.038905 -0.009256 -0.002328 0.008810 0.006192 0.013602 0.020474 0.007027 0.014502 0.001179 0.000611 0.180512 -0.085969 -0.092507 -0.013123 0.015218 0.005753 -0.048709 0.045675 -0.108562 -0.168902 -0.049825 -0.119901 0.027962 -0.022393 0.015468 -0.163893 -0.082538 0.095431 0.022427 0.020292 0.018446 0.007782 -0.019203 0.021402 -0.013356 0.041885 0.000313 -0.065134 -0.154309 -0.140618 -0.615211 -0.167333 0.373821 0.012261 -0.018455 -0.021381 0.028260 -0.004490 0.187510 -0.011657 0.003988 -0.023678 -0.029791 0.036498 -0.140653 0.001882 0.027282 -0.015968 -0.020129 -0.038003 -0.011002 -0.006490 -0.158189 -0.416305 0.026302 -0.006740 0.041243 0.056742 -0.023080 -0.006150 0.573064 -0.315377 0.981051 0.005053 -0.001455 0.026750 0.099423 -0.122332 -0.368635 -0.009740 -0.002799 0.013423 0.031366 0.071632 0.121524 -0.014352 0.021185 -0.009764 0.015952 0.016219 -0.000269 -0.014817 0.037479 0.452405 -0.011388 -0.001411 -0.001449 0.000167 0.004045 0.044406 -0.394296 0.112666 0.074071 -0.003009 -0.006702 -0.029256 -0.222998 -0.011814 0.555495 -0.009269 0.014905 0.008542 -0.234115 -0.032666 -0.155866 0.006081 -0.026784 -0.002591 -0.002159 0.029924 0.284440 0.101512 0.193158 -0.488788 -0.044069 0.023995 -0.000422 0.015236 0.025535 0.002911 0.315263 0.387744 1.235950 -0.012080 0.006580 -0.025250 0.246928 0.165832 -0.346847 0.001939 -0.011159 -0.005273 0.266531 -0.073172 -0.244507 -0.007115 0.024722 -0.010924 -0.029419 -0.009296 0.011976 -0.139507 -0.032400 0.018263 0.000700 0.012248 0.005726 -0.002406 -0.030903 -0.018805 0.009065 -0.035718 0.073936 -0.002790 0.017016 0.016538 -0.183324 0.066905 0.267628 -0.099190 -0.128813 -0.804833 -0.001300 -0.016669 -0.001045 0.007671 0.046189 -0.004390 0.024503 0.008117 0.005626 -0.100040 -0.148119 -0.091554 0.096412 -0.199398 -0.008525 0.009964 0.077968 0.037890 -0.235610 -0.050552 0.274979 0.003730 -0.019983 0.130377 0.082821 0.076491 -0.311525 0.018473 0.029517 0.012919 0.038437 -0.000723 0.008187 0.022254 0.008197 0.064943 0.185431 0.082030 0.307942 0.135565 0.171581 -0.129193 0.070405 0.113152 -0.054076 -0.021801 0.020397 0.033945 0.002404 0.021113 0.054654 -0.051201 0.006035 0.010164 0.042459 -0.000103 -0.001971 -0.001542 -0.004570 -0.006670 -0.010714 -0.007166 -0.004724 0.158026 0.008660 -0.582110 0.028161 -0.012107 -0.648687 0.058937 0.042895 -0.008929 -0.012475 -0.007004 0.011036 0.013105 0.043050 0.022230 -0.003763 0.002540 0.005680 0.180101 -0.086102 -0.092721 -0.025337 0.024678 0.021051 -0.048404 0.045850 -0.111735 -0.168823 -0.050217 -0.121446 0.024673 -0.011213 0.027523 -0.164165 -0.087063 0.091450 0.021537 0.016799 0.003436 0.024591 -0.024641 0.012677 -0.013332 0.035019 -0.000459 -0.068396 -0.152288 -0.133688 -0.609193 -0.165766 0.373794 0.049947 -0.037150 -0.094879 0.029876 -0.005155 0.196706 0.003200 -0.008800 -0.061766 -0.029714 0.036800 -0.139102 0.004312 0.048719 -0.032043 -0.049791 -0.033446 -0.004855 -0.007316 -0.158779 -0.413516 0.004778 -0.019214 0.032859 0.050881 -0.009026 0.000223 0.570430 -0.321286 0.974262 0.019742 -0.031879 0.015920 0.099388 -0.124274 -0.364720 -0.036319 -0.014535 -0.000404 0.031067 0.073973 0.123378 -0.026852 0.050629 -0.007943 0.024698 0.034540 -0.000878 -0.013921 0.037478 0.454053 -0.010226 0.002695 0.006829 -0.000914 -0.023058 0.045666 -0.391822 0.112840 0.077799 -0.018309 -0.023532 -0.022633 -0.227956 -0.013232 0.556624 -0.004465 0.021475 -0.006336 -0.234676 -0.033084 -0.154168 0.001453 -0.030935 -0.005544 0.054381 -0.016454 -0.017772 0.101499 0.193618 -0.486822 -0.058463 0.052533 -0.017020 0.012475 -0.004447 -0.006666 0.307977 0.395750 1.241738 -0.012674 0.018551 -0.033661 0.249711 0.167070 -0.345875 -0.001103 -0.016569 -0.013211 0.266786 -0.075534 -0.242570 0.000945 0.059293 -0.002380 -0.044509 -0.010353 0.012781 -0.139903 -0.032529 0.019929 -0.010494 0.023616 0.001225 -0.001439 -0.042294 -0.035550 0.017543 -0.043867 0.030657 0.000775 0.020857 0.017179 -0.184352 0.066472 0.269192 -0.099568 -0.128599 -0.802036 -0.004005 -0.012602 0.002317 0.005873 0.043128 -0.010464 0.019594 0.007032 0.007608 -0.099297 -0.147464 -0.089909 0.086470 -0.179961 -0.007339 0.006971 0.064465 0.032507 -0.236580 -0.050135 0.276722 0.002937 -0.017282 0.118973 0.082809 0.075567 -0.310036 0.014193 0.028528 0.013846 0.035377 0.000594 0.009371 0.021858 0.006123 0.057782 0.187098 0.082920 0.310059 0.135131 0.172885 -0.128450 0.071394 0.112996 -0.055013 -0.019259 0.019055 0.032818 0.003120 0.019968 0.048766 -0.048354 0.004813 0.010394 0.043078 -0.003923 -0.003488 0.000581 -0.002983 -0.005038 -0.009943 -0.005747 -0.004193 0.158490 0.008645 -0.580911 0.029094 -0.012079 -0.647775 0.059002 0.041808 -0.007444 -0.010575 -0.003496 0.011447 0.013498 0.038036 0.020656 -0.000861 0.001402 0.004906 0.181235 -0.086330 -0.091264 -0.023139 0.022327 0.020176 -0.048544 0.045737 -0.109815 -0.168811 -0.050109 -0.119715 0.026133 -0.013982 0.026318 -0.164016 -0.086086 0.093583 0.021680 0.017415 0.007807 0.022881 -0.023818 0.016267 -0.013925 0.036775 0.000249 -0.067471 -0.153141 -0.134493 -0.611405 -0.165738 0.374274 0.047924 -0.036840 -0.091822 0.030288 -0.006347 0.196307 0.005097 -0.008573 -0.062150 -0.028607 0.036328 -0.138565 0.004572 0.050191 -0.032895 -0.046473 -0.030783 -0.002175 -0.014241 -0.159253 -0.413905 0.004954 -0.019496 0.034660 0.042198 -0.006302 -0.000785 0.572923 -0.321115 0.975440 0.018870 -0.031545 0.018069 0.099100 -0.123886 -0.365273 -0.034860 -0.012831 -0.000695 0.030489 0.073349 0.125137 -0.026218 0.045799 -0.007433 0.022480 0.036374 0.001718 -0.006747 0.037616 0.454314 -0.010266 0.002175 0.008790 -0.004610 -0.020927 0.038233 -0.392259 0.112486 0.076399 -0.016683 -0.022949 -0.018350 -0.227468 -0.011882 0.556711 -0.001814 0.020371 -0.011972 -0.234038 -0.032637 -0.153070 0.001737 -0.034041 -0.005852 0.042142 -0.005745 0.011161 0.097891 0.193919 -0.486187 -0.054169 0.051791 -0.018134 0.013250 -0.006298 -0.006166 0.309261 0.394967 1.242554 -0.010548 0.017981 -0.032509 0.249771 0.166745 -0.345746 0.000184 -0.018385 -0.010419 0.266476 -0.074931 -0.241218 0.002708 0.058592 -0.002412 -0.038253 -0.014288 0.014013 -0.135991 -0.032740 0.020954 -0.008561 0.023073 -0.000581 -0.007218 -0.040174 -0.032642 0.037845 -0.061808 -0.088618 0.004917 0.023816 0.017340 -0.184148 0.066603 0.268699 -0.098493 -0.127723 -0.797422 -0.007807 -0.008140 0.000557 0.005151 0.031948 -0.004552 0.010288 0.002527 0.008478 -0.098324 -0.146612 -0.091242 0.067494 -0.138085 -0.006780 -0.000181 0.043058 0.024750 -0.236287 -0.050267 0.275999 0.001775 -0.009411 0.088356 0.082133 0.073723 -0.309543 0.003059 0.022695 0.010084 0.028081 0.004982 0.009340 0.022130 0.002025 0.035951 0.186918 0.082916 0.310564 0.133763 0.172410 -0.125009 0.071998 0.112601 -0.057571 -0.012849 0.015705 0.027376 0.002408 0.015140 0.031834 -0.037251 0.002444 0.006759 0.038324 -0.008615 -0.004271 0.001870 0.000789 -0.004834 -0.007767 -0.002643 -0.005807 0.158279 0.008745 -0.581407 0.029116 -0.011990 -0.648439 0.057571 0.040241 -0.008478 -0.006480 0.003141 0.007829 0.013523 0.028962 0.013943 0.006807 0.001341 0.002458 0.181202 -0.086101 -0.092135 -0.018057 0.018492 0.013343 -0.048761 0.045678 -0.109331 -0.168864 -0.049989 -0.119926 0.027459 -0.018360 0.020587 -0.163882 -0.084207 0.094466 0.021593 0.018547 0.012668 0.015357 -0.021652 0.019140 -0.013074 0.039946 -0.000559 -0.066086 -0.153742 -0.138050 -0.613068 -0.166315 0.373288 0.029708 -0.025851 -0.055231 0.029221 -0.005458 0.191056 -0.005147 -0.001935 -0.041678 -0.028915 0.036375 -0.139989 0.003049 0.038117 -0.024674 -0.032400 -0.036202 -0.006666 -0.012566 -0.158691 -0.415825 0.016439 -0.012139 0.037810 0.051417 -0.014285 -0.003729 0.572647 -0.317738 0.978328 0.011297 -0.015714 0.022636 0.099439 -0.123253 -0.367383 -0.023133 -0.009732 0.006002 0.030777 0.073073 0.123080 -0.020223 0.033820 -0.008833 0.018116 0.026057 0.001885 -0.008455 0.037621 0.452445 -0.009787 0.000294 0.002413 -0.002022 -0.009993 0.042357 -0.393510 0.112271 0.074721 -0.010263 -0.014798 -0.024382 -0.225078 -0.011727 0.555968 -0.008852 0.015721 -0.000426 -0.233857 -0.032687 -0.154818 0.003839 -0.029870 -0.002895 0.017813 0.012930 0.158398 0.097237 0.193491 -0.487882 -0.050206 0.037459 -0.008705 0.014052 0.010269 -0.000985 0.312752 0.390906 1.239267 -0.011086 0.011756 -0.028386 0.248427 0.166374 -0.346542 0.001404 -0.013230 -0.008351 0.266346 -0.074667 -0.242970 -0.001885 0.041387 -0.006847 -0.031748 -0.011224 0.014483 -0.135249 -0.032664 0.019323 -0.003030 0.017350 0.002167 -0.004250 -0.036228 -0.024977 0.022871 -0.048416 -0.008118 0.001016 0.019857 0.016256 -0.185783 0.066577 0.268027 -0.099536 -0.128449 -0.801725 -0.005452 -0.012350 0.000668 0.004546 0.040375 -0.001717 0.017486 0.006300 0.006449 -0.099267 -0.147329 -0.091732 0.081350 -0.169544 -0.008063 0.005217 0.059473 0.030129 -0.237950 -0.050334 0.275759 0.002493 -0.014573 0.108374 0.082971 0.074719 -0.311822 0.010342 0.026636 0.011296 0.033387 0.002066 0.007526 0.022032 0.005575 0.049956 0.188587 0.083423 0.309796 0.133802 0.172540 -0.130910 0.070691 0.112757 -0.058443 -0.017526 0.017891 0.029175 0.002558 0.017551 0.042557 -0.044781 0.004006 0.006343 0.043325 -0.007119 -0.004576 -0.000843 -0.002084 -0.006475 -0.009414 -0.004871 -0.005239 0.158380 0.008506 -0.582573 0.029072 -0.012033 -0.649497 0.058462 0.041407 -0.008732 -0.009764 -0.001817 0.009510 0.013352 0.035610 0.017747 0.001288 0.000878 0.003816 0.181921 -0.086477 -0.092459 -0.021822 0.021695 0.017090 -0.048639 0.045683 -0.111027 -0.169257 -0.050169 -0.120923 0.024202 -0.013870 0.024388 -0.164112 -0.085732 0.091731 0.021172 0.017439 0.007975 0.019621 -0.023147 0.015777 -0.014306 0.035384 -0.000865 -0.067535 -0.153236 -0.137411 -0.613979 -0.165875 0.373177 0.037784 -0.029977 -0.070839 0.029637 -0.008308 0.192713 -0.003189 -0.000125 -0.048019 -0.028473 0.036228 -0.139613 0.003385 0.041755 -0.027804 -0.041608 -0.036772 -0.006960 -0.020355 -0.159275 -0.417453 0.012094 -0.014634 0.040423 0.055230 -0.012503 -0.000808 0.573978 -0.319333 0.976213 0.014603 -0.021316 0.020473 0.099234 -0.123787 -0.367178 -0.026040 -0.008702 0.004972 0.029792 0.073452 0.125049 -0.022291 0.041020 -0.009394 0.022716 0.027819 -0.000828 -0.001449 0.037425 0.453341 -0.009343 0.001306 0.002958 -0.000244 -0.005681 0.050924 -0.393080 0.112155 0.075706 -0.013384 -0.018577 -0.024053 -0.226466 -0.009542 0.555832 -0.010207 0.013276 -0.002683 -0.233418 -0.032668 -0.153822 0.003470 -0.028806 -0.003573 0.034175 0.000964 0.074774 0.091054 0.193697 -0.487375 -0.054963 0.042882 -0.011774 0.011926 0.005303 -0.004447 0.310702 0.392894 1.240796 -0.013142 0.014261 -0.033529 0.248637 0.166716 -0.347070 0.000949 -0.015331 -0.008970 0.265403 -0.075171 -0.241319 -0.001211 0.049153 -0.005687 -0.028588 -0.011600 0.014900 -0.129625 -0.032597 0.020079 -0.006743 0.020067 0.001559 -0.001131 -0.044587 -0.028734 0.020321 -0.045826 0.008839 0.000012 0.017262 0.014801 -0.184176 0.066180 0.268153 -0.100023 -0.128393 -0.801990 -0.005309 -0.012732 0.000511 0.004596 0.041743 -0.003611 0.019171 0.006522 0.006320 -0.099200 -0.147401 -0.091101 0.084996 -0.176346 -0.008287 0.006884 0.063766 0.030940 -0.236409 -0.049874 0.275730 0.001972 -0.015936 0.113676 0.082175 0.075422 -0.310807 0.013017 0.027038 0.011488 0.034459 0.000757 0.008886 0.021883 0.005469 0.053344 0.186622 0.082884 0.308932 0.135134 0.173218 -0.128221 0.071344 0.112899 -0.055957 -0.018376 0.019062 0.031543 0.002561 0.019823 0.045227 -0.046806 0.004511 0.008417 0.041544 -0.004868 -0.004365 -0.000007 -0.002934 -0.005302 -0.009410 -0.005890 -0.004984 0.158267 0.008607 -0.581821 0.028856 -0.012060 -0.648625 0.059199 0.041699 -0.008573 -0.010117 -0.003578 0.009539 0.012127 0.037771 0.019827 0.000081 0.002201 0.003519 0.180855 -0.086520 -0.092339 -0.022504 0.021295 0.018221 -0.048787 0.045747 -0.110591 -0.168906 -0.050137 -0.120569 0.025023 -0.014179 0.025021 -0.164176 -0.085818 0.092908 0.021200 0.016975 0.007783 0.021515 -0.023237 0.015071 -0.013938 0.035597 0.000024 -0.067451 -0.153606 -0.135534 -0.609009 -0.165783 0.373676 0.041057 -0.032633 -0.079452 0.029585 -0.003052 0.194171 0.000377 -0.006291 -0.053844 -0.028658 0.036418 -0.139169 0.003811 0.045998 -0.030490 -0.043338 -0.034139 -0.004933 -0.014869 -0.158985 -0.412413 0.006523 -0.016493 0.032057 0.049697 -0.009903 0.001667 0.570013 -0.320060 0.973978 0.017783 -0.025876 0.019830 0.099104 -0.123607 -0.365933 -0.030323 -0.008807 0.002336 0.030193 0.074052 0.124608 -0.024090 0.043942 -0.009098 0.022219 0.030234 -0.000688 -0.006073 0.037540 0.452540 -0.006782 0.001946 0.005967 0.001078 -0.013715 0.047890 -0.392333 0.112404 0.075302 -0.014827 -0.021295 -0.020358 -0.226690 -0.014818 0.556320 -0.007379 0.018694 -0.007247 -0.233729 -0.032810 -0.153742 0.003089 -0.031971 -0.004989 0.039950 -0.003098 0.052399 0.098148 0.193698 -0.486696 -0.054542 0.046530 -0.015239 0.011891 0.002663 -0.003940 0.309533 0.393753 1.241664 -0.012422 0.015895 -0.032812 0.249052 0.166484 -0.346287 0.000431 -0.017599 -0.011102 0.265958 -0.075706 -0.241631 0.000011 0.052677 -0.004713 -0.035333 -0.011460 0.014145 -0.136493 -0.032624 0.020305 -0.008050 0.021579 -0.000157 -0.002785 -0.040893 -0.029964 0.013269 -0.040425 0.049472 -0.001859 0.018544 0.015775 -0.184491 0.066477 0.268029 -0.098557 -0.128954 -0.801632 -0.006124 -0.011094 0.000797 0.006167 0.037490 -0.004696 0.019931 0.007553 0.005722 -0.098914 -0.146179 -0.090503 0.070131 -0.141616 -0.006901 0.006811 0.057691 0.027984 -0.236590 -0.050202 0.275848 0.002479 -0.014573 0.104990 0.082781 0.073933 -0.309956 0.013045 0.026268 0.012027 0.030098 0.001424 0.007708 0.020096 0.007147 0.050120 0.186864 0.082872 0.309523 0.133956 0.172156 -0.126699 0.070929 0.113444 -0.057365 -0.015355 0.016151 0.028451 0.001525 0.016779 0.041681 -0.038293 0.003518 0.006490 0.042364 -0.004349 -0.003471 -0.001957 -0.002252 -0.005380 -0.007397 -0.004804 -0.003830 0.158188 0.008702 -0.582173 0.028835 -0.012091 -0.648662 0.058196 0.040965 -0.007716 -0.008960 -0.003860 0.009215 0.011794 0.033123 0.018749 0.000180 0.001054 0.004297 0.181059 -0.086402 -0.092433 -0.017349 0.019384 0.016699 -0.048623 0.045611 -0.110354 -0.169014 -0.050050 -0.120930 0.025660 -0.013100 0.024900 -0.163916 -0.084847 0.093887 0.020388 0.015185 0.008438 0.021254 -0.021324 0.013169 -0.012898 0.035147 -0.001010 -0.067782 -0.153896 -0.138459 -0.612066 -0.165826 0.373915 0.036626 -0.030641 -0.073751 0.029629 -0.005868 0.193780 -0.003080 -0.002259 -0.053020 -0.028833 0.036233 -0.139763 0.003585 0.045382 -0.029488 -0.044254 -0.032970 -0.004229 -0.013772 -0.159066 -0.415710 0.009207 -0.015982 0.038750 0.052949 -0.013484 0.001023 0.572797 -0.319897 0.974202 0.014153 -0.023523 0.020347 0.098970 -0.123602 -0.366614 -0.029329 -0.008298 0.003507 0.030301 0.074177 0.124293 -0.024450 0.037246 -0.009256 0.023892 0.028145 -0.000536 -0.007558 0.037528 0.453192 -0.007979 0.001865 0.003916 0.005630 -0.009903 0.055783 -0.392872 0.112094 0.076481 -0.014601 -0.019755 -0.024645 -0.226780 -0.011896 0.555645 -0.009743 0.016284 -0.004117 -0.233916 -0.032688 -0.154094 0.002078 -0.030762 -0.003428 0.050918 -0.011246 0.016906 0.096637 0.193704 -0.487174 -0.055153 0.044259 -0.013841 0.012046 0.004017 -0.003419 0.310831 0.392188 1.240062 -0.013179 0.015244 -0.033392 0.249180 0.166708 -0.346439 0.000479 -0.017577 -0.010567 0.266063 -0.075934 -0.242112 -0.000152 0.043640 -0.004013 -0.037771 -0.010520 0.016446 -0.134991 -0.032633 0.020036 -0.003266 0.020090 0.000586 -0.000145 -0.045075 -0.031064 -0.008879 -0.022632 0.167144 -0.006771 0.014600 0.010885 -0.185072 0.067035 0.267721 -0.095105 -0.129537 -0.800502 -0.008377 -0.008732 0.001203 0.009676 0.023116 -0.004762 0.021603 0.010354 0.005673 -0.097601 -0.142531 -0.088768 0.026556 -0.047436 -0.008104 0.007936 0.042870 0.020222 -0.236946 -0.050355 0.276293 0.003535 -0.011856 0.078086 0.084128 0.070691 -0.306126 0.013649 0.024153 0.011804 0.016477 0.003070 0.005357 0.015267 0.011584 0.041527 0.187571 0.083759 0.310745 0.131279 0.171547 -0.122234 0.071890 0.115036 -0.060613 -0.007458 0.009721 0.019772 -0.000850 0.011034 0.032916 -0.015304 0.001443 0.006590 0.042336 -0.005873 -0.002042 -0.004125 -0.000742 -0.003668 -0.003228 -0.003634 -0.001708 0.158207 0.009307 -0.582618 0.028683 -0.011909 -0.649185 0.056031 0.039846 -0.004245 -0.006296 -0.006115 0.007510 0.011276 0.025688 0.018293 -0.001509 0.001429 0.008069 0.181560 -0.086728 -0.092583 -0.005214 0.014117 0.013240 -0.047722 0.045523 -0.109622 -0.169011 -0.049598 -0.121551 0.026588 -0.010372 0.025382 -0.163456 -0.082141 0.097227 0.017293 0.010655 0.013849 0.019904 -0.014017 0.006135 -0.007739 0.031796 -0.001217 -0.068636 -0.156015 -0.145994 -0.612890 -0.166283 0.379273 0.024453 -0.024946 -0.057134 0.028190 -0.005278 0.193156 0.000138 -0.002830 -0.037210 -0.028979 0.035530 -0.139870 -0.001428 0.040754 -0.025513 -0.043067 -0.020507 -0.002904 -0.016202 -0.158426 -0.418597 0.012549 -0.006147 0.035102 0.039076 -0.010970 -0.001870 0.573947 -0.316287 0.975890 0.005163 -0.014268 0.014105 0.099429 -0.124184 -0.366904 -0.027148 -0.010975 0.000683 0.030595 0.073714 0.124669 -0.013465 0.006203 -0.004013 0.019000 0.026523 0.002276 -0.005283 0.038004 0.454593 -0.014991 0.005128 0.004937 0.004087 -0.005321 0.051419 -0.394773 0.111358 0.078952 -0.014934 -0.012955 -0.015821 -0.224731 -0.011023 0.558046 -0.003113 0.017600 -0.003004 -0.233958 -0.031650 -0.153821 -0.002621 -0.026991 -0.000893 0.069723 -0.028819 -0.111163 0.093864 0.193501 -0.486812 -0.035932 0.025391 -0.013290 0.013817 -0.001060 -0.000570 0.314696 0.384618 1.243948 -0.006419 0.006761 -0.027826 0.247556 0.168766 -0.342977 -0.006526 -0.015612 -0.010804 0.266168 -0.075607 -0.241552 0.007082 0.018724 0.001856 -0.028556 -0.008422 0.012934 -0.131837 -0.032671 0.020371 0.005747 0.009390 -0.000612 -0.000573 -0.048884 -0.029149 -0.054877 0.010608 0.409395 -0.021324 0.013894 0.005606 -0.184825 0.066777 0.267575 -0.089138 -0.131079 -0.797743 -0.015676 -0.003007 0.001962 0.025765 -0.002394 -0.006816 0.023027 0.013306 0.003964 -0.095324 -0.135416 -0.085120 -0.062359 0.145228 -0.011415 0.009762 0.015719 0.004313 -0.236085 -0.050336 0.277428 0.002330 -0.005154 0.026711 0.084551 0.063988 -0.297983 0.015920 0.018893 0.011476 -0.009071 0.004578 0.004021 0.003867 0.022291 0.024123 0.186435 0.083334 0.311776 0.127829 0.169724 -0.109419 0.073028 0.117852 -0.064940 0.009357 -0.003905 0.006876 -0.008091 -0.000168 0.013050 0.030211 -0.002975 0.006297 0.040989 -0.006816 0.000169 -0.008672 0.001900 0.000715 0.006602 -0.001633 0.003879 0.157722 0.009824 -0.582778 0.028185 -0.011960 -0.648113 0.052501 0.037155 0.001017 -0.001020 -0.010761 0.004569 0.006358 0.007871 0.017083 -0.004280 0.002682 0.014599 0.181034 -0.087361 -0.092857 0.021589 -0.000124 0.005744 -0.047319 0.044928 -0.106996 -0.169076 -0.049256 -0.122243 0.030442 -0.008172 0.026334 -0.162737 -0.077109 0.105725 0.010180 0.001431 0.025819 0.018881 -0.000837 -0.008625 -0.001155 0.026367 -0.004088 -0.070025 -0.160915 -0.159986 -0.610515 -0.168042 0.386909 -0.003667 -0.014060 -0.019191 0.024452 0.004064 0.189683 0.003297 -0.004241 -0.003616 -0.029624 0.033703 -0.140976 -0.011618 0.028444 -0.017789 -0.039741 0.006853 0.003605 -0.013992 -0.157461 -0.417491 0.013268 0.011400 0.020282 0.008442 -0.009436 -0.000044 0.572466 -0.309910 0.971598 -0.010786 0.004031 0.007614 0.099626 -0.125218 -0.368469 -0.020480 -0.010857 -0.003550 0.031132 0.075469 0.124586 0.006592 -0.047040 0.002173 0.013647 0.019164 0.005874 -0.007038 0.038392 0.454735 -0.018456 0.010382 0.004994 0.016971 0.006638 0.041787 -0.398323 0.109323 0.084068 -0.013953 -0.003408 -0.005336 -0.220633 -0.018150 0.560532 0.006836 0.018477 -0.002240 -0.234468 -0.030291 -0.153966 -0.009220 -0.017202 0.004874 0.124927 -0.060350 -0.364423 0.094947 0.192752 -0.485985 -0.006740 -0.007369 -0.012497 0.013442 -0.007069 0.004609 0.321557 0.369493 1.245731 0.003777 -0.008266 -0.016599 0.244227 0.171453 -0.337782 -0.020049 -0.014746 -0.011368 0.266667 -0.078511 -0.241534 0.019025 -0.037397 0.013551 -0.019795 -0.001437 0.006937 -0.132411 -0.033178 0.020778 0.030098 -0.011564 -0.004922 0.000605 -0.053807 -0.028246 -0.043236 0.005138 0.349662 -0.024349 0.011715 0.002252 -0.184687 0.066426 0.267421 -0.089559 -0.131032 -0.796740 -0.015098 -0.001862 0.001412 0.028671 -0.007437 -0.009758 0.021797 0.012823 0.002640 -0.095425 -0.134588 -0.084269 -0.071806 0.160935 -0.009740 0.008796 0.010596 0.001629 -0.235889 -0.049789 0.277397 0.002103 -0.004058 0.017673 0.084978 0.063114 -0.296477 0.018712 0.018927 0.009631 -0.011697 0.003752 0.003083 0.001888 0.022803 0.021173 0.185850 0.085116 0.312199 0.126848 0.171891 -0.107941 0.073911 0.118155 -0.064589 0.010174 -0.003353 0.003648 -0.008250 0.000051 0.010631 0.035102 -0.003377 0.006521 0.040129 -0.007946 -0.000289 -0.008529 0.002173 0.001752 0.006744 -0.001331 0.004861 0.157788 0.010007 -0.582725 0.028213 -0.011899 -0.648845 0.052769 0.037149 0.003450 -0.000836 -0.011773 0.004116 0.003948 0.007380 0.017393 -0.004746 0.003385 0.015268 0.180801 -0.087976 -0.092943 0.023131 -0.001542 0.005051 -0.047284 0.044973 -0.107120 -0.169224 -0.049122 -0.122358 0.029198 -0.007321 0.026066 -0.162869 -0.076739 0.106746 0.008634 -0.000777 0.025704 0.018253 0.001005 -0.010204 0.000241 0.025697 -0.004326 -0.070148 -0.162169 -0.160155 -0.611247 -0.168420 0.389881 -0.005949 -0.010598 -0.012445 0.024119 0.002228 0.190926 0.004557 -0.003137 0.002844 -0.030026 0.032783 -0.141262 -0.012761 0.026087 -0.015041 -0.037054 0.012439 0.005225 -0.016473 -0.157569 -0.420761 0.008660 0.014310 0.020549 0.002199 -0.008239 -0.002565 0.573656 -0.309475 0.970138 -0.013250 0.006065 0.007188 0.099698 -0.125547 -0.367735 -0.017856 -0.011288 -0.005196 0.031157 0.073133 0.124711 0.010196 -0.056498 0.005428 0.011935 0.016184 0.006297 -0.004785 0.038380 0.454009 -0.015622 0.010798 0.006708 0.015707 0.010988 0.037311 -0.398931 0.109663 0.084574 -0.013309 -0.001311 0.001253 -0.220243 -0.015873 0.562120 0.009164 0.016160 -0.003774 -0.234786 -0.029261 -0.154180 -0.009381 -0.016549 0.004939 0.111568 -0.052927 -0.314416 0.098481 0.192838 -0.485915 0.002350 -0.013558 -0.011329 0.012269 -0.009390 0.005474 0.322330 0.368145 1.248707 0.007176 -0.010012 -0.014994 0.243568 0.172292 -0.336569 -0.020776 -0.013182 -0.010431 0.266653 -0.076226 -0.241808 0.021123 -0.041301 0.016411 -0.013854 -0.000484 0.006484 -0.136284 -0.033000 0.020943 0.030618 -0.014679 -0.005416 0.000357 -0.053087 -0.027184 -0.005388 -0.013262 0.168430 -0.028508 0.013410 -0.001614 -0.184749 0.066523 0.267569 -0.086271 -0.131470 -0.795576 -0.016621 0.000806 0.001665 0.037525 -0.025532 -0.009164 0.021324 0.012524 0.001165 -0.094352 -0.131184 -0.082616 -0.099964 0.214323 -0.007719 0.009877 -0.005043 -0.004993 -0.235802 -0.050016 0.277925 0.000867 -0.000103 -0.007137 0.085219 0.060008 -0.292633 0.027311 0.016775 0.004373 -0.021353 0.005093 0.002702 -0.003075 0.024070 0.012404 0.185788 0.084706 0.312801 0.125310 0.171027 -0.104388 0.074672 0.118989 -0.066209 0.014585 -0.009069 -0.003748 -0.010410 -0.005789 0.002702 0.049983 -0.005103 0.005012 0.037796 -0.008656 0.001031 -0.011005 0.004053 0.003193 0.010450 -0.000247 0.007064 0.157668 0.010143 -0.582698 0.027876 -0.011981 -0.648761 0.050735 0.036006 0.005488 0.001760 -0.013368 0.002898 0.003232 0.000804 0.016007 -0.005078 0.004731 0.017454 0.180740 -0.088123 -0.092952 0.031378 -0.005472 0.001641 -0.046889 0.044720 -0.105833 -0.169171 -0.048989 -0.122677 0.030516 -0.006184 0.027260 -0.162933 -0.074707 0.109344 0.004014 -0.002240 0.027695 0.016340 0.008247 -0.015572 0.002774 0.026789 -0.005056 -0.070494 -0.163684 -0.164575 -0.609346 -0.169047 0.391956 -0.014766 -0.003771 0.002196 0.023671 0.005857 0.189486 0.005050 -0.003254 0.013381 -0.029969 0.032443 -0.141504 -0.015102 0.024969 -0.013730 -0.036224 0.018858 0.008447 -0.014867 -0.157161 -0.420188 0.015081 0.018538 0.017494 0.000389 -0.013354 -0.000221 0.571579 -0.307965 0.971896 -0.018828 0.011711 0.003661 0.099205 -0.125405 -0.368755 -0.014463 -0.007465 -0.005991 0.031308 0.073106 0.124476 0.013882 -0.066356 0.005912 0.012079 0.013525 0.008963 -0.006217 0.038492 0.454654 -0.021781 0.011183 0.005401 0.021005 0.014948 0.040591 -0.399645 0.108756 0.085265 -0.010602 0.003430 0.002791 -0.219098 -0.018676 0.561916 0.010814 0.016333 -0.002101 -0.234691 -0.029148 -0.154267 -0.010732 -0.015571 0.005961 0.067215 -0.034041 -0.123439 0.097753 0.192563 -0.485572 0.009011 -0.021044 -0.011141 0.009568 -0.006843 0.008811 0.324153 0.364450 1.249091 0.009179 -0.012491 -0.011665 0.242829 0.172665 -0.335907 -0.024677 -0.014467 -0.012943 0.266693 -0.076396 -0.241705 0.022992 -0.056950 0.016994 -0.012541 0.001798 0.006737 -0.135278 -0.033195 0.020769 0.036531 -0.018914 -0.007352 0.003164 -0.055637 -0.022270 0.067656 -0.044822 -0.175054 -0.033391 0.005559 -0.016056 -0.184340 0.066684 0.267320 -0.080936 -0.132103 -0.792072 -0.019313 0.006445 0.002426 0.047164 -0.056025 -0.013040 0.019989 0.009599 -0.007161 -0.092697 -0.124599 -0.079040 -0.148210 0.322644 -0.005990 0.008986 -0.035715 -0.020194 -0.235076 -0.050073 0.278506 -0.000047 0.007051 -0.058199 0.086032 0.053730 -0.285360 0.045178 0.014395 -0.006353 -0.039406 0.006415 0.001082 -0.012822 0.027468 -0.003441 0.184492 0.085189 0.314064 0.121657 0.170541 -0.096384 0.075578 0.120788 -0.068765 0.023329 -0.018152 -0.019249 -0.014944 -0.014396 -0.013074 0.079614 -0.008283 0.004914 0.033238 -0.011153 0.002574 -0.014659 0.007633 0.006538 0.016359 0.002419 0.011346 0.157235 0.010664 -0.582579 0.027090 -0.011977 -0.648120 0.047170 0.034211 0.011324 0.006475 -0.016777 -0.000489 -0.000903 -0.011547 0.013725 -0.006810 0.008276 0.022198 0.180049 -0.088838 -0.093166 0.047620 -0.013500 -0.005239 -0.046191 0.044413 -0.103852 -0.169299 -0.048555 -0.123454 0.032096 -0.001990 0.024214 -0.163107 -0.070925 0.114506 -0.003729 -0.008554 0.032378 0.013025 0.019723 -0.024593 0.009553 0.027727 -0.007251 -0.071453 -0.167116 -0.172431 -0.609287 -0.170355 0.399528 -0.034448 0.011241 0.039889 0.021682 0.009959 0.188428 0.005770 -0.005414 0.039997 -0.030740 0.031160 -0.142548 -0.021315 0.014827 -0.006241 -0.028964 0.039916 0.015956 -0.011088 -0.156358 -0.423282 0.016525 0.030813 0.011085 -0.019946 -0.015321 -0.003591 0.571737 -0.303885 0.970128 -0.028771 0.024139 -0.003149 0.098834 -0.125919 -0.369356 -0.006533 -0.006671 -0.007118 0.031661 0.074375 0.123941 0.027206 -0.091877 0.012120 0.006580 0.003669 0.013416 -0.010300 0.038820 0.455618 -0.027000 0.012601 0.004529 0.032243 0.028732 0.034195 -0.402493 0.107129 0.089429 -0.006726 0.014862 0.015287 -0.216633 -0.020643 0.564564 0.018259 0.015264 -0.002432 -0.235274 -0.027915 -0.154735 -0.014284 -0.004914 0.009895 -0.029796 0.005791 0.230823 0.099251 0.192149 -0.485362 0.031651 -0.046346 -0.008327 0.007681 -0.008245 0.012491 0.328673 0.355864 1.249454 0.019270 -0.018294 0.002249 0.240594 0.174861 -0.332544 -0.030337 -0.012207 -0.011332 0.266935 -0.078234 -0.242188 0.030310 -0.092041 0.024377 -0.000056 0.006920 0.005508 -0.136830 -0.033335 0.020906 0.051454 -0.031058 -0.010811 0.002255 -0.060536 -0.017305 0.028039 -0.029130 0.013866 -0.028411 0.008918 -0.006409 -0.184334 0.066561 0.267717 -0.084265 -0.131526 -0.793856 -0.018281 0.002754 0.003092 0.044529 -0.038247 -0.015077 0.020917 0.012177 -0.000426 -0.093785 -0.128462 -0.081403 -0.119695 0.260546 -0.008503 0.008720 -0.015748 -0.010074 -0.235254 -0.050007 0.278374 0.000780 0.002961 -0.028549 0.085708 0.057402 -0.288892 0.035727 0.015802 0.000262 -0.029011 0.004926 0.002414 -0.007414 0.025878 0.006230 0.184734 0.085300 0.313647 0.123766 0.171581 -0.100324 0.075479 0.119722 -0.066571 0.017848 -0.012089 -0.011006 -0.012607 -0.008834 -0.004177 0.062398 -0.006387 0.007682 0.035651 -0.010322 0.002041 -0.010341 0.005718 0.005007 0.011608 0.000872 0.008355 0.157649 0.010365 -0.582203 0.027626 -0.011958 -0.648223 0.049365 0.035657 0.009147 0.002878 -0.015214 0.001037 0.001506 -0.003539 0.015722 -0.006268 0.007087 0.021063 0.180302 -0.088607 -0.092885 0.038233 -0.008654 -0.001099 -0.046537 0.044606 -0.104964 -0.169261 -0.048811 -0.122779 0.032349 -0.004034 0.025871 -0.163020 -0.073515 0.111572 0.000304 -0.005898 0.029339 0.014781 0.012755 -0.019613 0.005627 0.028609 -0.005922 -0.070704 -0.165732 -0.167475 -0.610500 -0.170433 0.397294 -0.024946 0.004507 0.023174 0.022318 0.007688 0.188855 0.008066 -0.009308 0.031701 -0.030958 0.031358 -0.141899 -0.019240 0.014109 -0.008101 -0.027545 0.034573 0.012909 -0.011838 -0.156626 -0.422374 0.010656 0.027673 0.005364 -0.023158 -0.009734 -0.004056 0.573254 -0.305225 0.968765 -0.023519 0.018089 -0.004049 0.099159 -0.126132 -0.369123 -0.007751 -0.009812 -0.010009 0.032144 0.073964 0.124089 0.025756 -0.083584 0.011553 0.003310 0.007829 0.012382 -0.009260 0.038604 0.455771 -0.023462 0.011825 0.005621 0.015423 0.016492 0.020587 -0.401643 0.108132 0.087871 -0.009140 0.009974 0.013848 -0.216923 -0.019279 0.564329 0.021138 0.016685 -0.008328 -0.235371 -0.028051 -0.154575 -0.012497 -0.004556 0.007286 0.012771 -0.010682 0.032193 0.100568 0.192238 -0.485147 0.030563 -0.039972 -0.010317 0.007796 -0.009418 0.008786 0.326983 0.359661 1.250604 0.019386 -0.018032 0.002622 0.240754 0.174469 -0.334027 -0.028135 -0.011223 -0.011911 0.267342 -0.077583 -0.241897 0.028333 -0.073591 0.021649 -0.001246 0.004962 0.004363 -0.138104 -0.033234 0.021119 0.043743 -0.027863 -0.010708 -0.001559 -0.051978 -0.018216 0.021092 -0.026229 0.044699 -0.027631 0.012259 -0.003681 -0.184570 0.066310 0.267538 -0.085426 -0.131679 -0.794342 -0.018334 0.002671 0.003048 0.039804 -0.035488 -0.012897 0.021671 0.012604 0.000681 -0.093871 -0.129022 -0.081641 -0.114150 0.248476 -0.009033 0.009138 -0.012781 -0.008416 -0.235508 -0.049837 0.278280 0.000215 0.002411 -0.024768 0.085508 0.057481 -0.290143 0.033905 0.016414 0.001345 -0.027177 0.004151 0.002486 -0.007053 0.025199 0.007977 0.184932 0.085701 0.313354 0.124017 0.172743 -0.101170 0.075265 0.119529 -0.066814 0.017499 -0.010724 -0.009535 -0.011947 -0.006777 -0.002894 0.058398 -0.005811 0.005935 0.038224 -0.010910 0.000956 -0.011137 0.005666 0.005264 0.011274 0.001067 0.008073 0.157629 0.010236 -0.582664 0.027719 -0.012020 -0.648677 0.050197 0.035492 0.008299 0.002430 -0.014097 0.002483 0.000482 -0.002016 0.016356 -0.005118 0.005814 0.020137 0.180359 -0.088765 -0.092917 0.037066 -0.008719 -0.000495 -0.046661 0.044581 -0.105247 -0.169265 -0.048868 -0.122938 0.031431 -0.004498 0.026636 -0.163082 -0.073612 0.111097 0.001339 -0.005823 0.029105 0.015172 0.011623 -0.018694 0.004661 0.027183 -0.005875 -0.070804 -0.165746 -0.167158 -0.610242 -0.169959 0.395820 -0.021865 0.001930 0.017292 0.022745 0.006410 0.188932 0.007096 -0.005684 0.026310 -0.030505 0.031066 -0.141919 -0.018189 0.016717 -0.010111 -0.031877 0.030185 0.012104 -0.015048 -0.157028 -0.422500 0.008165 0.023998 0.011499 -0.015189 -0.011895 -0.002473 0.573065 -0.306713 0.966339 -0.022199 0.015833 0.002815 0.099061 -0.126199 -0.369353 -0.010190 -0.008673 -0.008823 0.031642 0.073334 0.124328 0.021168 -0.080922 0.009318 0.006744 0.008037 0.011576 -0.005906 0.038483 0.454554 -0.017378 0.011536 0.004703 0.024499 0.018965 0.031090 -0.400829 0.108357 0.088071 -0.009264 0.007838 0.006731 -0.217751 -0.018386 0.563086 0.016391 0.015987 -0.005537 -0.234998 -0.027910 -0.154536 -0.012041 -0.007564 0.007258 0.026547 -0.018283 0.002417 0.100823 0.192357 -0.485266 0.022378 -0.033203 -0.010671 0.008629 -0.007973 0.009345 0.325955 0.361216 1.250546 0.015281 -0.016043 -0.005181 0.241503 0.174133 -0.335030 -0.027019 -0.011843 -0.012497 0.266878 -0.076978 -0.241893 0.026196 -0.067345 0.019861 -0.004918 0.005995 0.006172 -0.138485 -0.033199 0.021024 0.041884 -0.024558 -0.009725 -0.000450 -0.056206 -0.019429 0.024818 -0.027524 0.025897 -0.026241 0.009021 -0.004714 -0.184280 0.066428 0.267838 -0.085341 -0.131259 -0.793863 -0.015661 0.002634 0.002303 0.037026 -0.033446 -0.010383 0.017847 0.009618 -0.001096 -0.094162 -0.128938 -0.081308 -0.102750 0.219955 -0.006390 0.007977 -0.013543 -0.009669 -0.235289 -0.049784 0.278362 0.000341 0.002128 -0.024451 0.085386 0.057661 -0.289972 0.032375 0.016530 0.001220 -0.024319 0.004226 0.003013 -0.006448 0.023625 0.008199 0.184702 0.085510 0.313385 0.124329 0.172676 -0.102180 0.075147 0.119298 -0.065734 0.015087 -0.009412 -0.009341 -0.010966 -0.006657 -0.001203 0.053607 -0.005657 0.006148 0.035589 -0.009804 0.001467 -0.010544 0.005417 0.005175 0.010704 0.000758 0.007974 0.157666 0.010194 -0.582463 0.027682 -0.011911 -0.648409 0.050113 0.035983 0.008729 0.002449 -0.014411 0.001723 0.000767 -0.001165 0.014953 -0.005696 0.007198 0.018871 0.180212 -0.088540 -0.092739 0.033634 -0.006993 -0.000554 -0.046712 0.044728 -0.105032 -0.169232 -0.048833 -0.122740 0.030356 -0.003822 0.025504 -0.163385 -0.073967 0.110505 0.001235 -0.004580 0.026059 0.014788 0.010891 -0.018023 0.004074 0.027729 -0.005528 -0.070552 -0.165052 -0.164765 -0.610009 -0.169832 0.395788 -0.019103 0.002365 0.015533 0.023137 0.006871 0.189482 0.007679 -0.006634 0.025287 -0.030620 0.031662 -0.141575 -0.017318 0.016887 -0.009908 -0.029446 0.028273 0.010932 -0.012749 -0.156882 -0.422008 0.010229 0.023312 0.011093 -0.012565 -0.011182 -0.003048 0.572725 -0.306818 0.968746 -0.019866 0.014773 0.000043 0.098949 -0.125650 -0.368916 -0.009156 -0.007876 -0.009317 0.031682 0.073853 0.124481 0.019805 -0.070881 0.008902 0.006473 0.008365 0.011089 -0.008304 0.038572 0.455165 -0.020178 0.010759 0.004520 0.021903 0.017537 0.030010 -0.400725 0.108416 0.088192 -0.008230 0.008329 0.007768 -0.217886 -0.018789 0.563359 0.016494 0.016244 -0.006301 -0.235152 -0.028299 -0.154249 -0.011308 -0.007092 0.006890 0.023350 -0.016070 0.020177 0.101294 0.192471 -0.485085 0.019835 -0.030363 -0.010182 0.008012 -0.007830 0.009202 0.325173 0.362999 1.250449 0.015462 -0.014087 -0.003506 0.241523 0.173638 -0.335084 -0.025075 -0.011952 -0.011782 0.266980 -0.077168 -0.241728 0.024532 -0.059762 0.019738 -0.003640 0.005255 0.006642 -0.139030 -0.033098 0.021337 0.038227 -0.022174 -0.009798 0.000569 -0.055053 -0.019109 0.037190 -0.033198 -0.035268 -0.019598 0.003148 -0.007011 -0.184579 0.066558 0.267953 -0.086311 -0.129723 -0.793781 -0.009472 0.002406 0.001367 0.023023 -0.020904 -0.002949 0.010281 0.000214 -0.008455 -0.095199 -0.128424 -0.081371 -0.058523 0.130322 -0.000627 0.003373 -0.013029 -0.009921 -0.235932 -0.049217 0.278119 -0.000516 0.001216 -0.024707 0.084708 0.057777 -0.291290 0.027489 0.017478 0.000268 -0.014656 0.003261 0.003638 -0.005494 0.018316 0.008783 0.185092 0.086222 0.312381 0.125171 0.175014 -0.108150 0.074363 0.118470 -0.064332 0.008054 -0.004354 -0.009852 -0.007415 -0.004431 0.003232 0.035527 -0.003979 0.005273 0.035416 -0.010422 0.000151 -0.010270 0.006053 0.003853 0.007460 0.001004 0.006526 0.157782 0.010158 -0.582792 0.027471 -0.011585 -0.649396 0.050418 0.037830 0.008499 0.001369 -0.013172 0.002161 0.000036 0.006612 0.013968 -0.005409 0.009990 0.016144 0.180114 -0.088433 -0.093001 0.022241 -0.001797 -0.000917 -0.046965 0.045317 -0.105616 -0.169381 -0.048682 -0.123308 0.028876 -0.002469 0.023485 -0.164655 -0.075371 0.106952 0.000320 -0.001559 0.016456 0.014791 0.008161 -0.015317 0.001774 0.030149 -0.006403 -0.070029 -0.163782 -0.158491 -0.608299 -0.169283 0.395964 -0.012234 0.002866 0.016251 0.023358 0.008178 0.189975 0.008525 -0.005601 0.026246 -0.030479 0.031760 -0.141837 -0.018073 0.019477 -0.011416 -0.030233 0.027305 0.010011 -0.016736 -0.156754 -0.421441 0.008985 0.023400 0.014319 -0.007194 -0.014139 -0.002978 0.570702 -0.307488 0.969048 -0.014739 0.013448 0.004953 0.099224 -0.125455 -0.368789 -0.008699 -0.008572 -0.009122 0.031195 0.073337 0.124239 0.015353 -0.054975 0.008912 0.009365 0.009284 0.011515 -0.004408 0.038767 0.454226 -0.019056 0.011590 0.004257 0.031727 0.020270 0.035734 -0.400345 0.108846 0.089414 -0.006404 0.007247 0.007973 -0.218833 -0.019696 0.563539 0.014458 0.016752 -0.004863 -0.235139 -0.027727 -0.154475 -0.009957 -0.006519 0.007650 0.015521 -0.013777 0.080342 0.099234 0.193043 -0.485278 0.007978 -0.024238 -0.008911 0.006821 -0.004995 0.009733 0.322571 0.368688 1.249965 0.015327 -0.009944 -0.003427 0.241656 0.173648 -0.336175 -0.021856 -0.010589 -0.010642 0.266582 -0.075509 -0.241758 0.021830 -0.037913 0.019534 -0.001809 0.004459 0.009987 -0.137613 -0.032595 0.021013 0.033090 -0.016726 -0.009404 0.000668 -0.061017 -0.020535 0.063324 -0.046711 -0.157123 -0.014073 0.002632 -0.007788 -0.184298 0.066547 0.268494 -0.087017 -0.128558 -0.792756 0.001540 0.001389 0.000663 0.006795 -0.006962 0.006927 -0.003176 -0.012418 -0.016950 -0.096260 -0.128583 -0.080657 0.013118 -0.044644 0.007295 -0.002647 -0.010709 -0.011633 -0.236294 -0.049745 0.277862 -0.000079 -0.001332 -0.023879 0.084143 0.057725 -0.291587 0.019127 0.018177 -0.000972 0.001630 0.001002 0.005414 -0.004435 0.006554 0.011158 0.184978 0.085486 0.311281 0.126768 0.177470 -0.117782 0.074359 0.115929 -0.060520 -0.007673 0.004951 -0.010084 -0.000468 -0.001201 0.013687 0.002800 -0.002584 0.005798 0.035491 -0.012288 0.000060 -0.007285 0.006943 0.003887 0.002100 0.000779 0.004752 0.158105 0.009259 -0.582838 0.027016 -0.012091 -0.649033 0.050809 0.039445 0.009665 -0.000365 -0.011857 0.005125 0.001103 0.015925 0.011343 -0.005314 0.014186 0.012870 0.179968 -0.088658 -0.092725 0.003095 0.006673 -0.001607 -0.046734 0.045405 -0.105866 -0.169268 -0.049264 -0.123474 0.026042 -0.000084 0.018300 -0.166840 -0.078453 0.100879 0.000408 0.004001 0.000664 0.014063 0.000122 -0.010244 -0.002305 0.035462 -0.006564 -0.069058 -0.161509 -0.146118 -0.608033 -0.169619 0.396486 0.006972 0.000537 0.010841 0.027530 0.006009 0.196609 0.008753 -0.009745 0.012794 -0.030462 0.031546 -0.141404 -0.006238 0.014864 -0.005249 -0.019912 0.017257 0.005304 -0.012116 -0.157495 -0.422699 0.009011 0.006365 0.013411 -0.002759 -0.016069 -0.006049 0.569887 -0.314223 0.972020 0.002037 -0.004279 0.003524 0.096720 -0.124759 -0.367529 -0.006031 -0.005430 -0.006676 0.031255 0.074871 0.123724 -0.002107 0.009086 0.006636 0.013314 0.003242 0.011369 -0.008883 0.037879 0.455149 -0.021103 0.000857 0.002159 0.038828 0.014532 0.030207 -0.397352 0.108796 0.089818 0.002090 0.009807 0.010278 -0.221972 -0.018535 0.562964 0.005143 0.014239 0.000018 -0.235207 -0.028038 -0.155128 -0.001625 -0.003604 0.004339 -0.014752 -0.002923 0.201217 0.099680 0.193398 -0.485205 -0.010334 0.006872 -0.001762 0.004369 0.003327 0.009436 0.315579 0.383566 1.251922 0.008441 0.011951 -0.001146 0.244644 0.171694 -0.342027 -0.004295 -0.007753 -0.001265 0.266520 -0.076490 -0.242339 0.005774 0.021855 0.010740 0.004348 0.002749 0.012594 -0.138595 -0.032286 0.020873 0.007512 0.008175 -0.008752 0.000175 -0.050630 -0.013126 0.027369 -0.027876 0.015386 -0.008092 0.000380 -0.007830 -0.184735 0.066299 0.268420 -0.088432 -0.128497 -0.792779 0.004341 0.001080 -0.000630 -0.006500 0.004068 0.012769 -0.006764 -0.014943 -0.017430 -0.096745 -0.129390 -0.081162 0.031706 -0.079866 0.007824 -0.006278 -0.007465 -0.007960 -0.236799 -0.049752 0.277964 -0.001174 -0.001613 -0.020554 0.083785 0.058031 -0.292372 0.007767 0.017341 0.003396 0.005995 0.000897 0.006233 -0.003300 0.003086 0.010120 0.185912 0.085530 0.310510 0.127734 0.178869 -0.120406 0.074497 0.115521 -0.060785 -0.009432 0.006930 -0.007841 0.000804 0.000051 0.013625 -0.007689 -0.002431 0.004596 0.036260 -0.012734 -0.001074 -0.006641 0.007108 0.003497 0.001498 0.000662 0.003482 0.158495 0.008914 -0.583234 0.027435 -0.012242 -0.649907 0.051754 0.039771 0.009544 -0.000752 -0.010726 0.004854 0.000414 0.014827 0.009159 -0.005178 0.012867 0.010562 0.180440 -0.088699 -0.093100 -0.001326 0.007955 -0.002088 -0.047029 0.045338 -0.106443 -0.169265 -0.049423 -0.123632 0.024890 0.000142 0.016352 -0.167296 -0.079159 0.099267 -0.000097 0.004952 -0.002476 0.012705 -0.003317 -0.007233 -0.004719 0.036332 -0.006446 -0.068554 -0.161194 -0.144170 -0.606791 -0.169119 0.396155 0.012677 0.000195 0.006909 0.028307 0.007268 0.197282 0.008581 -0.008851 0.008611 -0.029935 0.031039 -0.141268 -0.004353 0.014560 -0.005377 -0.018060 0.015102 0.002781 -0.017405 -0.157836 -0.421707 0.007413 0.003826 0.012708 -0.001718 -0.014050 -0.007040 0.568890 -0.314982 0.972181 0.007082 -0.006623 0.005869 0.096305 -0.125120 -0.367804 -0.005624 -0.005609 -0.008315 0.030747 0.073271 0.124510 -0.004865 0.020216 0.006170 0.014494 0.001676 0.011910 -0.003068 0.037688 0.454321 -0.018134 -0.000306 0.001877 0.040841 0.013640 0.029025 -0.396825 0.108408 0.090081 0.003652 0.008404 0.009353 -0.222453 -0.020029 0.562981 0.002993 0.013220 0.000062 -0.234699 -0.027824 -0.154728 -0.000197 -0.002271 0.004401 0.027844 -0.023763 0.038716 0.097693 0.193454 -0.484856 -0.015264 0.012608 -0.000423 0.002595 0.005340 0.009665 0.314295 0.385828 1.254243 0.007575 0.015125 -0.002667 0.245097 0.171664 -0.342791 -0.000156 -0.006874 -0.001005 0.266152 -0.074910 -0.241596 0.003550 0.037575 0.008677 0.008709 0.001866 0.012250 -0.136641 -0.032322 0.021379 0.002580 0.011971 -0.008793 0.001110 -0.051078 -0.011750 0.008496 -0.017802 0.106495 -0.007055 0.000270 -0.008670 -0.184597 0.066403 0.268270 -0.089083 -0.128365 -0.792198 0.005107 0.001076 -0.000698 -0.007009 0.008677 0.015962 -0.008304 -0.016294 -0.017866 -0.096885 -0.129624 -0.081181 0.039759 -0.098721 0.009261 -0.007189 -0.006229 -0.006970 -0.236764 -0.049807 0.277752 -0.000819 -0.001637 -0.018731 0.084387 0.058263 -0.292155 0.001347 0.016527 0.005161 0.007959 0.000636 0.005704 -0.002787 0.001179 0.009392 0.186021 0.086019 0.310586 0.127582 0.179734 -0.121243 0.074956 0.115346 -0.060603 -0.010748 0.008369 -0.007467 0.002038 0.000825 0.013820 -0.013142 -0.002087 0.004170 0.037180 -0.013195 -0.001026 -0.006087 0.007496 0.003421 0.000856 0.000394 0.003265 0.158712 0.008860 -0.583574 0.027517 -0.012264 -0.650048 0.052196 0.040070 0.010463 -0.000851 -0.010011 0.005327 0.000036 0.014697 0.008073 -0.005048 0.012356 0.009471 0.180537 -0.088835 -0.093194 -0.003495 0.008997 -0.002143 -0.046617 0.045419 -0.106745 -0.169168 -0.049466 -0.123776 0.023594 0.000616 0.015294 -0.167479 -0.079533 0.098595 -0.000146 0.005555 -0.004392 0.011443 -0.004947 -0.005958 -0.005508 0.037131 -0.006607 -0.068479 -0.161023 -0.142682 -0.609368 -0.168887 0.396672 0.015190 -0.001251 0.004320 0.028959 0.004945 0.198549 0.007222 -0.006957 0.005874 -0.030089 0.031316 -0.141385 -0.001725 0.013599 -0.002354 -0.015795 0.011958 0.000330 -0.017005 -0.157912 -0.424671 0.006483 0.000884 0.014614 0.001438 -0.011002 -0.008410 0.571647 -0.315077 0.973349 0.009853 -0.007717 0.006109 0.096355 -0.124140 -0.367120 -0.003281 -0.004655 -0.006604 0.031187 0.074511 0.124190 -0.007078 0.028359 0.005766 0.014293 0.000665 0.011070 -0.003460 0.037738 0.455214 -0.015436 -0.001344 0.000913 0.034174 0.013514 0.024924 -0.396808 0.108449 0.089637 0.004379 0.008831 0.011942 -0.222526 -0.017716 0.564044 0.002314 0.010792 0.003335 -0.234915 -0.028076 -0.154955 0.001181 -0.002992 0.004143 0.051720 -0.034729 -0.060538 0.097232 0.193503 -0.485282 -0.015420 0.014954 0.001911 0.000905 0.006202 0.008528 0.313974 0.386935 1.256731 0.006114 0.015818 -0.002051 0.245367 0.170774 -0.342662 0.000145 -0.006831 0.001226 0.266544 -0.075985 -0.241794 0.000627 0.044915 0.006732 0.011828 0.000727 0.011397 -0.136096 -0.032338 0.021119 -0.004430 0.013906 -0.006309 0.001840 -0.050764 -0.011056 0.006196 -0.016204 0.117161 -0.003998 0.001245 -0.007010 -0.185679 0.066625 0.268031 -0.089951 -0.128546 -0.792704 0.002612 0.001486 -0.001551 -0.002414 0.009125 0.017407 -0.008749 -0.013170 -0.013707 -0.097590 -0.130296 -0.082098 0.038203 -0.082364 0.007892 -0.007194 -0.002690 -0.004250 -0.237823 -0.050085 0.277778 -0.002295 -0.001575 -0.012781 0.083887 0.058916 -0.292831 -0.002004 0.016015 0.006110 0.007649 0.002605 0.005837 -0.001120 -0.000295 0.007077 0.187145 0.084800 0.309728 0.128122 0.178198 -0.121851 0.074262 0.115657 -0.062554 -0.008276 0.006590 -0.003816 0.001891 -0.000818 0.010358 -0.013898 -0.001903 0.002550 0.035583 -0.011372 -0.002183 -0.006898 0.008619 0.001816 0.000705 0.001054 0.002144 0.158531 0.008907 -0.583949 0.027322 -0.012311 -0.650469 0.052461 0.040356 0.009278 -0.000702 -0.009297 0.005312 0.001689 0.012098 0.006142 -0.005583 0.010223 0.008058 0.181121 -0.088408 -0.093741 -0.003717 0.008424 -0.002447 -0.047044 0.045386 -0.107486 -0.169437 -0.049492 -0.124185 0.021711 -0.000033 0.012217 -0.167563 -0.079634 0.097701 -0.000319 0.005955 -0.002705 0.008754 -0.006044 -0.004731 -0.005217 0.038798 -0.007642 -0.068506 -0.160860 -0.144035 -0.606040 -0.168801 0.396092 0.014436 -0.002890 0.001698 0.028418 0.008120 0.198901 0.006856 -0.006994 0.004824 -0.029706 0.031982 -0.140930 -0.001054 0.013287 -0.003873 -0.016382 0.012140 -0.000775 -0.018483 -0.157970 -0.421941 0.012315 0.001068 0.013687 0.001840 -0.014164 -0.008071 0.567290 -0.314638 0.977583 0.009846 -0.007018 0.005263 0.096314 -0.124149 -0.367383 -0.003442 -0.007501 -0.006235 0.030366 0.075647 0.124892 -0.007747 0.026555 0.005271 0.016684 0.001664 0.011425 -0.002067 0.037602 0.454703 -0.023363 -0.001463 0.002505 0.041046 0.014621 0.031548 -0.396391 0.108471 0.091327 0.003510 0.008630 0.009083 -0.222745 -0.020589 0.564579 0.002249 0.014613 0.004590 -0.234575 -0.028752 -0.154468 0.001660 -0.003360 0.005039 0.060243 -0.041507 -0.072295 0.091151 0.193696 -0.484881 -0.019299 0.015057 0.002320 0.000744 0.007948 0.008859 0.313411 0.386460 1.257051 0.006311 0.016782 -0.001557 0.245362 0.170850 -0.342736 0.000605 -0.008642 -0.000445 0.265820 -0.077111 -0.241435 0.001115 0.041406 0.007369 0.010624 -0.000953 0.012221 -0.130253 -0.032262 0.021305 -0.001016 0.013479 -0.006921 0.002478 -0.056997 -0.012058 0.001895 -0.012728 0.141944 -0.002049 0.002807 -0.006000 -0.184794 0.066802 0.267817 -0.094299 -0.129032 -0.791843 -0.004054 0.003651 -0.003769 0.018365 0.012378 0.022863 -0.009824 -0.013337 -0.008655 -0.098530 -0.132805 -0.084554 0.035325 -0.043545 0.006259 -0.006270 0.010024 0.004157 -0.236980 -0.050383 0.277925 -0.003808 0.002086 0.005904 0.084871 0.060704 -0.290906 -0.008617 0.012150 0.009578 0.006528 0.004571 0.005530 0.003655 -0.003672 0.001376 0.185477 0.085447 0.309474 0.128606 0.179098 -0.114185 0.075533 0.116626 -0.062216 -0.000639 0.005995 0.006690 0.002959 -0.000827 0.000490 -0.017282 -0.001391 -0.000716 0.030862 -0.008375 -0.001664 -0.006505 0.011373 0.002662 0.000954 0.001908 0.000427 0.158591 0.008969 -0.582485 0.026594 -0.012552 -0.650147 0.055443 0.041119 0.010075 0.000343 -0.007017 0.006456 -0.000943 0.004136 0.001493 -0.005225 0.004257 0.004098 0.180487 -0.088963 -0.094179 -0.003694 0.005244 -0.001894 -0.046287 0.045310 -0.108602 -0.169100 -0.049583 -0.124003 0.020851 -0.002386 0.008480 -0.167749 -0.079853 0.098358 0.000047 0.004620 0.004186 0.002008 -0.010876 0.002078 -0.004277 0.041078 -0.006976 -0.068646 -0.162383 -0.144128 -0.604316 -0.167344 0.394184 0.012067 -0.007551 -0.013063 0.028375 0.008670 0.198593 -0.001416 -0.003583 -0.003363 -0.030209 0.031594 -0.140013 0.007480 0.004126 0.000719 -0.012398 -0.000219 -0.003539 -0.013508 -0.157578 -0.423822 0.008266 -0.002156 0.009743 0.005334 -0.006949 -0.008882 0.565408 -0.312086 0.976352 0.011380 -0.003811 0.009727 0.096619 -0.123449 -0.368449 0.004620 -0.006767 0.000568 0.031455 0.073406 0.123900 -0.010466 0.015124 -0.001070 0.019202 -0.001989 0.012297 -0.006078 0.037594 0.455444 -0.012598 -0.001763 -0.000476 0.020581 0.013772 0.027861 -0.395984 0.108406 0.092087 0.001007 0.005120 0.004041 -0.221833 -0.020208 0.567820 -0.000342 0.010689 0.008174 -0.234943 -0.028724 -0.154097 0.004532 -0.003396 0.001394 0.068796 -0.040673 -0.108618 0.098654 0.193241 -0.484252 -0.014829 0.010057 0.006006 -0.003416 0.013459 0.006914 0.313423 0.383111 1.257583 0.002228 0.009118 0.002336 0.245434 0.170790 -0.342260 0.007439 -0.006477 -0.003228 0.266720 -0.075151 -0.241788 -0.005568 0.029081 0.001246 0.006262 -0.003917 0.006157 -0.137644 -0.032452 0.021134 -0.002909 0.009084 -0.002974 0.003352 -0.040845 -0.005783 -0.007164 -0.005481 0.187947 0.005945 0.003085 -0.005105 -0.185024 0.067421 0.266793 -0.102970 -0.129768 -0.789706 -0.016869 0.007493 -0.010431 0.037145 0.019728 0.030124 -0.013879 -0.010145 0.007473 -0.100923 -0.137328 -0.088931 0.027509 0.036306 -0.000781 -0.007149 0.030220 0.021212 -0.237139 -0.050760 0.278036 -0.007220 0.006857 0.042709 0.086629 0.064189 -0.289283 -0.021948 0.006045 0.015670 0.004888 0.009644 0.004309 0.013707 -0.011575 -0.010854 0.185581 0.086214 0.308424 0.129464 0.179415 -0.104697 0.076603 0.118759 -0.065282 0.015053 0.003575 0.025279 0.005975 -0.002651 -0.021080 -0.024184 -0.000140 -0.008450 0.021809 -0.001898 -0.003509 -0.006593 0.017287 0.000870 0.001015 0.003921 -0.003321 0.158994 0.009177 -0.581135 0.026154 -0.012594 -0.650514 0.060851 0.042910 0.011578 0.002337 -0.002140 0.007155 -0.004203 -0.010954 -0.008451 -0.004773 -0.008594 -0.005088 0.180943 -0.089381 -0.095465 -0.004147 0.000278 -0.002167 -0.045448 0.045343 -0.111356 -0.169006 -0.049496 -0.124245 0.018411 -0.006404 -0.000895 -0.167670 -0.080173 0.098463 0.001324 0.004035 0.016112 -0.010405 -0.018947 0.012207 -0.003127 0.050099 -0.006838 -0.068738 -0.164338 -0.146246 -0.604151 -0.164498 0.391089 0.006107 -0.016646 -0.036795 0.027887 0.010451 0.198870 -0.013169 0.006781 -0.016922 -0.030156 0.032085 -0.139161 0.019824 -0.008517 0.004584 -0.003540 -0.022380 -0.013787 -0.012367 -0.157512 -0.427980 0.005204 -0.006873 0.005471 0.015474 0.001165 -0.009481 0.564338 -0.306501 0.979921 0.014875 -0.000008 0.019582 0.097358 -0.120991 -0.370117 0.018542 -0.008480 0.012866 0.031580 0.072201 0.123906 -0.011532 -0.005264 -0.009782 0.025389 -0.007695 0.012021 -0.006100 0.037739 0.456899 -0.000445 0.000193 -0.004794 -0.012513 0.016300 0.024122 -0.395479 0.108577 0.094508 -0.003298 0.003105 -0.002850 -0.219920 -0.020040 0.574576 -0.004829 0.007658 0.015781 -0.235092 -0.029272 -0.153343 0.009122 -0.004369 -0.004978 0.087819 -0.047977 -0.151504 0.099129 0.193440 -0.483990 -0.013174 0.002504 0.014953 -0.011457 0.022517 0.004099 0.313548 0.376586 1.259411 -0.002854 -0.005362 0.010389 0.245148 0.169999 -0.340821 0.017002 -0.005832 -0.008306 0.267139 -0.073896 -0.242050 -0.014537 0.005599 -0.010470 0.005333 -0.009804 -0.002766 -0.138090 -0.032494 0.021013 -0.000553 -0.000219 0.004152 0.010682 -0.031500 0.001150 0.040349 -0.027879 -0.043607 0.006860 0.004472 -0.006956 -0.186241 0.067807 0.267118 -0.103505 -0.129236 -0.790108 -0.013546 0.007305 -0.008622 0.035892 0.009485 0.025532 -0.009536 -0.007587 0.010500 -0.100577 -0.137122 -0.088204 0.016020 0.039192 -0.001646 -0.003934 0.025572 0.019593 -0.238387 -0.050582 0.278408 -0.006895 0.006641 0.041124 0.087220 0.064427 -0.288476 -0.010566 0.006877 0.010381 0.003988 0.010679 0.003635 0.013052 -0.011219 -0.011246 0.186837 0.086555 0.309098 0.128497 0.179394 -0.106173 0.076883 0.119173 -0.067068 0.013557 0.001679 0.025275 0.006218 -0.003167 -0.020265 -0.016716 0.000505 -0.009480 0.018880 -0.001412 -0.004640 -0.006689 0.016170 0.000564 0.001090 0.004872 -0.001966 0.158904 0.009374 -0.580609 0.026117 -0.012344 -0.650621 0.060614 0.043301 0.013050 0.003015 -0.000206 0.007161 -0.004524 -0.011312 -0.008926 -0.004953 -0.010004 -0.006387 0.181592 -0.089207 -0.094852 -0.005250 -0.000418 -0.001301 -0.045418 0.045618 -0.110979 -0.169196 -0.049264 -0.123753 0.016372 -0.005372 -0.002681 -0.167618 -0.079800 0.099360 0.000670 0.002537 0.015005 -0.011877 -0.016989 0.013447 -0.002692 0.050465 -0.006018 -0.069505 -0.164126 -0.145836 -0.602315 -0.164045 0.391009 0.001040 -0.013916 -0.037635 0.027716 0.011147 0.199029 -0.015332 0.012043 -0.018440 -0.029641 0.032233 -0.138923 0.021004 -0.011579 0.006368 -0.002422 -0.022178 -0.013969 -0.017079 -0.157441 -0.428324 0.007237 -0.008656 0.006014 0.020346 0.001462 -0.009990 0.561700 -0.305613 0.981769 0.014624 0.001975 0.020967 0.097350 -0.120949 -0.370306 0.019005 -0.008197 0.013466 0.030849 0.072058 0.124852 -0.012297 -0.006321 -0.009296 0.025741 -0.007115 0.011545 -0.001633 0.037911 0.456425 0.000472 -0.000216 -0.004046 -0.013181 0.019809 0.028161 -0.395581 0.108715 0.094253 -0.004360 0.001132 -0.004689 -0.219766 -0.019844 0.575617 -0.007832 0.004002 0.019306 -0.234768 -0.028979 -0.152818 0.009938 -0.003358 -0.005662 0.034177 -0.021647 0.071494 0.093919 0.193936 -0.483898 -0.009736 0.000617 0.016668 -0.012680 0.023264 0.003893 0.314170 0.376668 1.259545 -0.005084 -0.007994 0.012987 0.245045 0.170563 -0.340521 0.018769 -0.005140 -0.008440 0.266536 -0.073202 -0.241313 -0.015367 0.001525 -0.012465 0.005928 -0.009853 -0.003024 -0.133083 -0.032197 0.021243 0.000516 -0.000962 0.006281 0.011069 -0.034509 0.004037 0.059277 -0.037011 -0.132873 0.006603 0.005026 -0.006486 -0.185843 0.067448 0.267442 -0.104612 -0.129216 -0.789779 -0.012681 0.008111 -0.005647 0.035491 0.005041 0.022451 -0.007983 -0.006965 0.011384 -0.100485 -0.137192 -0.087830 0.011834 0.040784 -0.001999 -0.003660 0.024494 0.019095 -0.238028 -0.050180 0.278815 -0.006863 0.006705 0.040810 0.087143 0.064466 -0.287769 -0.004858 0.006706 0.007784 0.003803 0.009638 0.004279 0.012493 -0.011242 -0.011263 0.186289 0.087018 0.309070 0.128702 0.180936 -0.105005 0.077680 0.119268 -0.066705 0.013568 0.002157 0.025996 0.006142 -0.001220 -0.019950 -0.013998 0.000518 -0.010327 0.017278 -0.000775 -0.004595 -0.006296 0.015250 0.001855 0.000996 0.004934 -0.002066 0.158958 0.009411 -0.580327 0.026152 -0.012368 -0.650270 0.061491 0.043399 0.013592 0.003612 0.000858 0.006529 -0.006265 -0.011715 -0.009290 -0.003679 -0.010463 -0.007680 0.181304 -0.089499 -0.094583 -0.005355 -0.001057 -0.001448 -0.045448 0.045619 -0.110668 -0.169084 -0.049222 -0.123363 0.017141 -0.005370 -0.002230 -0.167624 -0.079676 0.100383 0.000785 0.001262 0.014795 -0.011689 -0.016665 0.013741 -0.002430 0.052241 -0.005934 -0.069463 -0.164764 -0.145057 -0.601391 -0.164021 0.391338 -0.002658 -0.015146 -0.036450 0.027991 0.013608 0.199134 -0.013729 0.010432 -0.018355 -0.029678 0.031981 -0.138301 0.019764 -0.012641 0.006483 -0.000131 -0.021492 -0.013709 -0.017214 -0.157375 -0.426745 0.002571 -0.008553 -0.000008 0.020137 0.000851 -0.007371 0.561093 -0.305718 0.978818 0.014092 0.001566 0.020995 0.096934 -0.120863 -0.370076 0.017566 -0.006909 0.012193 0.030922 0.072008 0.125541 -0.009995 -0.010273 -0.010024 0.023521 -0.009617 0.009798 -0.000990 0.037898 0.456601 0.006280 -0.000775 -0.003967 -0.012656 0.018755 0.027732 -0.395389 0.108803 0.094489 -0.004620 0.002666 -0.006196 -0.219302 -0.021985 0.575777 -0.005321 0.003644 0.018017 -0.234738 -0.028744 -0.152329 0.009390 -0.002165 -0.007037 0.008538 -0.010962 0.169380 0.097155 0.193876 -0.483040 -0.005651 0.000487 0.013514 -0.012664 0.022090 0.002854 0.314144 0.376796 1.263082 -0.005290 -0.008518 0.008951 0.244782 0.170670 -0.340215 0.016418 -0.004158 -0.009399 0.266548 -0.073151 -0.240690 -0.014512 0.001940 -0.013416 0.003831 -0.007173 -0.004037 -0.136169 -0.032136 0.021924 -0.002400 -0.001216 0.006349 0.012422 -0.031169 0.003522 0.063906 -0.038456 -0.161141 0.005535 0.005012 -0.007817 -0.186453 0.067485 0.266620 -0.105144 -0.128759 -0.790914 -0.005364 0.006240 -0.003717 0.025240 -0.004657 0.021458 -0.002089 -0.004324 0.012386 -0.099810 -0.136527 -0.087140 -0.000801 0.030780 -0.003362 -0.002384 0.015819 0.012605 -0.238822 -0.049855 0.278075 -0.005256 0.005643 0.030686 0.087833 0.064138 -0.287844 0.001963 0.006589 0.004419 0.003101 0.008727 0.002499 0.009877 -0.009154 -0.011491 0.186935 0.087523 0.308482 0.127499 0.181926 -0.107726 0.078363 0.119441 -0.068904 0.009997 0.000730 0.021851 0.006104 -0.000237 -0.016568 -0.004014 0.000971 -0.012035 0.017223 0.000017 -0.005629 -0.006477 0.012296 0.001965 0.001083 0.005097 -0.001385 0.158885 0.009521 -0.581138 0.026206 -0.012302 -0.651322 0.061386 0.043478 0.014362 0.004254 0.002382 0.005880 -0.006844 -0.009496 -0.008308 -0.002989 -0.010250 -0.008437 0.181569 -0.089575 -0.095337 -0.005576 -0.001834 -0.002490 -0.045380 0.045789 -0.111464 -0.169111 -0.049095 -0.124148 0.015331 -0.003520 -0.002817 -0.167797 -0.079124 0.100672 0.000156 0.000375 0.011058 -0.010544 -0.014281 0.012885 -0.001024 0.052764 -0.006817 -0.070093 -0.164989 -0.145339 -0.601683 -0.163988 0.393057 -0.009493 -0.013899 -0.029754 0.027681 0.014375 0.200178 -0.012448 0.012564 -0.015207 -0.029740 0.032076 -0.138700 0.017061 -0.012274 0.008389 -0.000307 -0.018076 -0.011553 -0.020824 -0.157412 -0.428068 0.002082 -0.007095 0.001183 0.026241 -0.002195 -0.009105 0.561060 -0.305534 0.978327 0.009302 0.004009 0.021934 0.097195 -0.120549 -0.369762 0.014599 -0.007595 0.010486 0.030936 0.073005 0.125380 -0.007686 -0.005756 -0.008812 0.023245 -0.011196 0.008177 0.002714 0.038005 0.455731 0.007437 -0.001007 -0.002764 -0.005767 0.022381 0.029460 -0.395474 0.108926 0.094833 -0.004282 0.005755 -0.005318 -0.219326 -0.022025 0.576573 -0.005479 0.003093 0.019102 -0.234946 -0.028612 -0.152734 0.008617 -0.001504 -0.005737 0.000434 -0.008465 0.216536 0.094526 0.194145 -0.483691 -0.005116 0.000740 0.015855 -0.013949 0.021454 0.001711 0.314795 0.377761 1.263261 -0.006233 -0.008489 0.010390 0.244981 0.170562 -0.339697 0.013776 -0.004556 -0.009156 0.266608 -0.073783 -0.240846 -0.011754 0.001611 -0.011858 0.004033 -0.004323 -0.003029 -0.133697 -0.031959 0.021338 0.001734 -0.000013 0.007105 0.012669 -0.036473 0.004174 0.081336 -0.044861 -0.239792 -0.002702 0.004191 -0.009090 -0.186072 0.067633 0.266656 -0.104419 -0.127779 -0.793150 0.007186 0.004823 0.000749 -0.002431 -0.024192 0.012687 0.018517 0.004518 0.019742 -0.097221 -0.134989 -0.083535 -0.039713 0.004109 -0.005743 0.000716 -0.007797 -0.003037 -0.238886 -0.050143 0.277798 -0.000319 0.002222 0.003638 0.089816 0.062506 -0.285468 0.023547 0.006201 -0.002973 0.002290 0.007009 -0.000345 0.002710 -0.002827 -0.009094 0.186615 0.086591 0.309032 0.124664 0.180969 -0.110514 0.079929 0.119291 -0.071007 -0.000340 -0.005102 0.011765 0.005806 -0.001263 -0.004062 0.024659 0.002815 -0.014764 0.011504 0.006905 -0.003076 -0.005934 0.005762 0.003072 0.002802 0.005879 0.001118 0.158483 0.009202 -0.579402 0.025456 -0.012572 -0.651200 0.059976 0.043375 0.016520 0.006725 0.008228 0.005378 -0.005666 -0.005187 -0.005203 0.000560 -0.009697 -0.009824 0.181273 -0.089766 -0.094578 -0.006623 -0.003217 -0.004117 -0.044670 0.045699 -0.110759 -0.168659 -0.049368 -0.123740 0.015659 -0.002153 -0.004661 -0.167358 -0.078097 0.105115 -0.000287 -0.002078 0.005317 -0.006746 -0.006511 0.011868 0.004064 0.061206 -0.002855 -0.071766 -0.164551 -0.142845 -0.598129 -0.164417 0.395793 -0.030022 -0.000211 -0.001448 0.028947 0.016790 0.200550 -0.000418 0.011181 -0.001158 -0.030505 0.031420 -0.138601 0.006151 -0.013913 0.005521 0.004584 -0.007905 -0.001720 -0.016335 -0.157021 -0.428648 0.007601 0.000167 -0.005007 0.039235 -0.015919 -0.008424 0.555899 -0.305183 0.978634 -0.007980 0.006377 0.014192 0.095687 -0.121366 -0.369154 -0.000200 -0.004420 0.004465 0.031964 0.070829 0.124768 0.004853 0.002370 -0.005415 0.012024 -0.010554 0.001315 -0.001005 0.037776 0.455891 0.005121 -0.001617 -0.001243 0.013114 0.017612 0.028165 -0.395767 0.107792 0.095513 -0.005368 0.006599 -0.009768 -0.218139 -0.023704 0.576415 -0.003602 -0.005654 0.016572 -0.235470 -0.028481 -0.152893 0.004295 0.004579 -0.004229 -0.032329 0.011454 0.313142 0.095863 0.193693 -0.483509 0.012187 0.001735 0.009241 -0.013159 0.012798 -0.001529 0.317471 0.380899 1.262655 -0.006481 -0.007471 0.010396 0.245118 0.171106 -0.338959 0.006744 -0.004786 -0.013025 0.267489 -0.071660 -0.240855 -0.003436 0.000177 -0.006342 -0.013627 0.004325 -0.003262 -0.134636 -0.032110 0.021534 0.009571 0.002582 0.005961 0.018208 -0.032855 0.008846 0.112893 -0.054100 -0.392033 -0.015980 0.007908 -0.012206 -0.184883 0.068228 0.265765 -0.104992 -0.125597 -0.794683 0.038075 0.000136 0.012048 -0.060532 -0.074640 -0.001135 0.052980 0.012836 0.029119 -0.092405 -0.130941 -0.075859 -0.114764 -0.049809 -0.014187 0.009329 -0.058113 -0.035262 -0.238543 -0.049702 0.276633 0.011624 -0.003548 -0.054323 0.095433 0.059162 -0.280983 0.064404 0.009356 -0.017940 -0.001990 0.001633 -0.007797 -0.011950 0.010601 -0.005356 0.185645 0.088635 0.310472 0.117415 0.183504 -0.115680 0.083577 0.119784 -0.075458 -0.020444 -0.012386 -0.011201 0.005319 0.000304 0.019229 0.082633 0.006426 -0.020516 0.004393 0.014332 0.001198 -0.004415 -0.009257 0.004893 0.004026 0.007122 0.005738 0.158040 0.009304 -0.578198 0.024615 -0.012592 -0.651962 0.058111 0.043420 0.025367 0.011405 0.019358 0.003444 -0.007060 0.003682 0.001375 0.007894 -0.008280 -0.012672 0.180579 -0.090494 -0.093857 -0.009937 -0.007318 -0.006891 -0.043005 0.046015 -0.110185 -0.168010 -0.049131 -0.123767 0.017997 0.003924 -0.008489 -0.166179 -0.075374 0.114002 -0.000088 -0.008592 -0.009976 0.001663 0.012019 0.007569 0.014113 0.069867 0.005744 -0.074934 -0.164477 -0.137416 -0.600716 -0.165314 0.405740 -0.070181 0.015991 0.055943 0.031116 0.017514 0.206001 0.019768 0.011755 0.026118 -0.032127 0.030779 -0.138450 -0.019537 -0.018216 0.008655 0.012562 0.016383 0.017297 -0.012365 -0.156435 -0.435117 0.006751 0.013163 -0.005630 0.058729 -0.030772 -0.007847 0.556688 -0.304383 0.975502 -0.041220 0.008492 -0.003724 0.093701 -0.121592 -0.365534 -0.027675 0.002709 -0.007630 0.033797 0.070090 0.124044 0.029076 0.017539 0.000887 -0.009727 -0.016310 -0.013028 -0.004048 0.037936 0.457593 0.014225 -0.001898 -0.001333 0.043246 0.009079 0.014810 -0.396902 0.107288 0.098135 -0.006227 0.013466 -0.014203 -0.216055 -0.021722 0.579783 -0.001247 -0.025023 0.013851 -0.237030 -0.027619 -0.153367 0.000066 0.012142 0.004930 -0.088570 0.048190 0.495147 0.099796 0.193915 -0.484213 0.042357 0.001869 -0.002213 -0.010655 -0.004929 -0.008601 0.323405 0.387775 1.267209 -0.007329 -0.003737 0.010593 0.245590 0.172087 -0.335098 -0.010737 -0.003646 -0.018660 0.269350 -0.069713 -0.241297 0.016535 -0.005196 0.004823 -0.042007 0.021704 -0.006334 -0.137874 -0.031741 0.021909 0.022908 0.008888 0.010378 0.030508 -0.023711 0.008372 0.104361 -0.049632 -0.355487 -0.015842 0.007645 -0.011883 -0.185819 0.068280 0.266121 -0.104910 -0.125513 -0.795449 0.041718 -0.001527 0.014494 -0.065987 -0.076578 -0.001395 0.054602 0.014643 0.029559 -0.092298 -0.130780 -0.075517 -0.117836 -0.053067 -0.014180 0.010114 -0.061210 -0.036975 -0.239465 -0.049598 0.277041 0.012251 -0.003955 -0.057586 0.095469 0.059518 -0.280267 0.064635 0.008764 -0.017549 -0.002897 0.001298 -0.007496 -0.012852 0.011585 -0.004256 0.186749 0.088358 0.310785 0.117430 0.183353 -0.117155 0.084127 0.119938 -0.076296 -0.022037 -0.013255 -0.012047 0.005205 0.000231 0.021673 0.085789 0.006353 -0.020072 0.005263 0.013303 0.001589 -0.004451 -0.011490 0.005592 0.002809 0.006269 0.005810 0.158209 0.009283 -0.577707 0.024926 -0.012513 -0.651585 0.057985 0.043523 0.025838 0.011694 0.019881 0.003077 -0.005900 0.003731 0.002148 0.008658 -0.008110 -0.012583 0.181283 -0.090283 -0.093518 -0.009858 -0.007338 -0.006892 -0.043230 0.046065 -0.109880 -0.168107 -0.049053 -0.123257 0.016566 0.004893 -0.008322 -0.166146 -0.075171 0.114069 0.000006 -0.009224 -0.011120 0.002784 0.013787 0.008112 0.014505 0.069622 0.006039 -0.074900 -0.164489 -0.137688 -0.599866 -0.165462 0.404789 -0.072443 0.016881 0.059547 0.031125 0.018252 0.204875 0.020543 0.012146 0.027129 -0.031579 0.030852 -0.138324 -0.021502 -0.016912 0.008299 0.014565 0.018877 0.018523 -0.015463 -0.156401 -0.435323 0.006581 0.013626 -0.009351 0.057210 -0.030467 -0.005502 0.555749 -0.304474 0.974329 -0.043716 0.008808 -0.008063 0.093622 -0.121639 -0.366958 -0.028589 0.003793 -0.009818 0.033412 0.070988 0.124523 0.031484 0.020518 0.000133 -0.012581 -0.016850 -0.013434 -0.000819 0.037936 0.457339 0.014899 -0.002300 -0.001091 0.045796 0.009744 0.017260 -0.396698 0.107342 0.095495 -0.005523 0.014711 -0.011342 -0.215845 -0.022112 0.578460 -0.001573 -0.027308 0.011615 -0.236501 -0.027571 -0.153241 -0.000581 0.012099 0.004213 -0.078279 0.043398 0.466355 0.095978 0.194099 -0.484141 0.044860 0.001508 -0.004916 -0.010637 -0.005755 -0.006872 0.323446 0.388236 1.264556 -0.008173 -0.003851 0.010608 0.245591 0.172324 -0.336459 -0.012186 -0.003145 -0.018381 0.268932 -0.070424 -0.240678 0.017844 -0.007829 0.004276 -0.042126 0.023358 -0.005026 -0.133962 -0.031599 0.021892 0.022032 0.009184 0.009390 0.030366 -0.022118 0.009532 0.078547 -0.036279 -0.239446 -0.018215 0.006991 -0.011489 -0.185404 0.068086 0.265516 -0.105550 -0.125024 -0.796814 0.046186 -0.002371 0.015607 -0.077089 -0.080980 -0.001058 0.063915 0.016792 0.030687 -0.091248 -0.130003 -0.074472 -0.126594 -0.060803 -0.015399 0.011862 -0.071206 -0.044078 -0.239292 -0.049264 0.276481 0.014389 -0.005344 -0.069599 0.095755 0.058719 -0.280245 0.065101 0.007797 -0.018360 -0.003647 -0.000056 -0.008949 -0.015724 0.014771 -0.002737 0.186280 0.087737 0.309650 0.116695 0.183266 -0.118256 0.084235 0.120131 -0.077203 -0.025666 -0.013728 -0.017015 0.004638 0.000627 0.026204 0.092397 0.007452 -0.023670 0.005058 0.016007 0.001772 -0.005221 -0.015409 0.005830 0.003201 0.006672 0.005689 0.157880 0.009270 -0.577684 0.024457 -0.012560 -0.651663 0.058039 0.043596 0.025877 0.012048 0.021871 0.002921 -0.006069 0.005905 0.003575 0.010089 -0.007591 -0.013424 0.180867 -0.090366 -0.094074 -0.010364 -0.007897 -0.008382 -0.043202 0.046129 -0.110270 -0.167887 -0.049059 -0.123949 0.017248 0.005703 -0.011312 -0.166267 -0.074406 0.114867 0.000376 -0.010531 -0.014519 0.004155 0.017025 0.007062 0.015028 0.068690 0.007506 -0.075625 -0.164565 -0.136985 -0.595840 -0.165553 0.406292 -0.077721 0.014675 0.066469 0.030747 0.023417 0.206283 0.023190 0.010354 0.029884 -0.031748 0.031016 -0.138307 -0.024155 -0.018016 0.009606 0.010300 0.024826 0.019681 -0.014282 -0.156033 -0.432648 0.007275 0.015574 -0.008642 0.060172 -0.035248 -0.004682 0.551317 -0.304054 0.973877 -0.045855 0.009519 -0.007702 0.093865 -0.121464 -0.366377 -0.032030 0.000520 -0.011860 0.033458 0.071730 0.124272 0.032539 0.024393 0.000929 -0.013237 -0.019303 -0.015741 -0.001513 0.037971 0.456206 0.011049 -0.001128 -0.000573 0.060883 0.012616 0.024090 -0.395928 0.107357 0.098432 -0.005372 0.018215 -0.016116 -0.215404 -0.026489 0.579068 -0.000098 -0.022512 0.013088 -0.236733 -0.027761 -0.153361 -0.000714 0.014849 0.006395 -0.052087 0.029963 0.357660 0.096418 0.194087 -0.484034 0.040945 0.002495 -0.004285 -0.011434 -0.007734 -0.008518 0.323249 0.389228 1.264982 -0.008654 -0.003317 0.011684 0.245676 0.172002 -0.335579 -0.014323 -0.005376 -0.021055 0.269071 -0.071023 -0.240913 0.019134 -0.005261 0.007928 -0.046650 0.029086 -0.004911 -0.134469 -0.031572 0.021762 0.028762 0.011356 0.009536 0.034817 -0.029202 0.008987 0.025426 -0.008992 -0.001094 -0.025076 0.007297 -0.012737 -0.185633 0.068316 0.265211 -0.105856 -0.124374 -0.798216 0.057366 -0.007459 0.020774 -0.096159 -0.091782 -0.003933 0.074536 0.019628 0.032464 -0.089203 -0.128844 -0.071074 -0.143820 -0.078768 -0.016593 0.015956 -0.089339 -0.057970 -0.239818 -0.049446 0.276159 0.019340 -0.008258 -0.094976 0.098295 0.057607 -0.277851 0.066000 0.006828 -0.017215 -0.005235 -0.002282 -0.012046 -0.021211 0.021059 0.001242 0.187037 0.087970 0.310300 0.113790 0.183282 -0.121494 0.085691 0.120420 -0.078873 -0.034092 -0.016435 -0.027676 0.004496 -0.000512 0.036893 0.106968 0.008882 -0.025604 0.005173 0.017537 0.004752 -0.005258 -0.023233 0.006150 0.002280 0.005399 0.007238 0.157843 0.009087 -0.576829 0.024253 -0.012728 -0.652288 0.057281 0.043607 0.029545 0.012947 0.026500 0.003308 -0.003894 0.009025 0.007142 0.013228 -0.007204 -0.013724 0.181277 -0.090706 -0.093733 -0.010979 -0.008265 -0.009942 -0.042457 0.046064 -0.110174 -0.167587 -0.049196 -0.123782 0.017306 0.008316 -0.012863 -0.165931 -0.073320 0.117680 0.001465 -0.013945 -0.018908 0.008848 0.025404 0.007291 0.017839 0.075210 0.009215 -0.077039 -0.164552 -0.135144 -0.594910 -0.165915 0.410459 -0.087733 0.024639 0.095444 0.031606 0.023185 0.209118 0.032603 0.010478 0.041689 -0.031895 0.030689 -0.138017 -0.034825 -0.018391 0.010764 0.017040 0.034919 0.026512 -0.014965 -0.156106 -0.435870 0.008792 0.021655 -0.008438 0.064597 -0.039330 -0.002472 0.549270 -0.303351 0.974192 -0.057847 0.010155 -0.019449 0.093173 -0.121919 -0.365198 -0.041627 0.002240 -0.016576 0.033776 0.070571 0.124654 0.042587 0.031529 0.004224 -0.025370 -0.025585 -0.022689 -0.000237 0.037846 0.456724 0.006977 0.001146 0.002485 0.069242 0.006839 0.017267 -0.395689 0.106444 0.098618 -0.003581 0.018600 -0.016757 -0.214521 -0.025165 0.581006 -0.001219 -0.033789 0.010595 -0.236853 -0.027736 -0.153010 -0.003102 0.019840 0.007767 0.002080 0.011804 0.113404 0.093898 0.194023 -0.484116 0.052324 0.001162 -0.011377 -0.010297 -0.017498 -0.014046 0.324478 0.391740 1.265689 -0.009598 -0.003213 0.012380 0.246293 0.172557 -0.333736 -0.020365 -0.001134 -0.019733 0.269457 -0.069796 -0.240495 0.028298 -0.011259 0.012431 -0.055952 0.035720 -0.006286 -0.131552 -0.031643 0.022237 0.029050 0.013357 0.010595 0.041206 -0.017104 0.009388 0.011958 -0.002320 0.054730 -0.025871 0.007125 -0.013645 -0.186614 0.068405 0.264774 -0.106373 -0.124284 -0.798803 0.060178 -0.008721 0.022596 -0.099713 -0.095499 -0.005146 0.077066 0.023148 0.031832 -0.088905 -0.128542 -0.070558 -0.147999 -0.083080 -0.015843 0.016448 -0.093798 -0.061033 -0.240885 -0.049381 0.275874 0.020662 -0.008723 -0.101200 0.099098 0.057453 -0.277665 0.065683 0.006814 -0.017312 -0.006416 -0.003587 -0.013721 -0.022563 0.022356 0.002528 0.188037 0.088642 0.310430 0.112547 0.184248 -0.124064 0.086310 0.120551 -0.080659 -0.036470 -0.017118 -0.030590 0.004774 0.000163 0.038756 0.110595 0.008927 -0.026449 0.006342 0.016511 0.004347 -0.005343 -0.025879 0.005467 0.001442 0.004581 0.007420 0.157894 0.009108 -0.577694 0.024269 -0.012764 -0.653227 0.056915 0.043568 0.030992 0.012950 0.027504 0.002641 -0.003571 0.009717 0.007819 0.013653 -0.007496 -0.014279 0.181751 -0.090812 -0.094019 -0.011119 -0.008100 -0.010725 -0.042387 0.046102 -0.110723 -0.167865 -0.049146 -0.124111 0.016576 0.009584 -0.013887 -0.166219 -0.073034 0.117659 0.001410 -0.014656 -0.020421 0.010009 0.027805 0.006502 0.017795 0.072241 0.009459 -0.077611 -0.164770 -0.135725 -0.597459 -0.166223 0.411704 -0.090790 0.026831 0.102479 0.031496 0.021444 0.210385 0.034496 0.012188 0.044469 -0.032148 0.030552 -0.138263 -0.037511 -0.016885 0.011533 0.018658 0.037518 0.027660 -0.019646 -0.156230 -0.438552 0.007471 0.022766 -0.006812 0.064243 -0.039172 -0.002215 0.551306 -0.303351 0.974417 -0.060718 0.010361 -0.022139 0.092981 -0.121740 -0.365067 -0.044570 0.003760 -0.018293 0.033674 0.071089 0.124939 0.045182 0.030804 0.006084 -0.028547 -0.025297 -0.024908 0.004022 0.037805 0.456998 0.008420 0.000925 0.002997 0.074250 0.009683 0.019080 -0.396022 0.106675 0.097854 -0.003306 0.019745 -0.013903 -0.214330 -0.023119 0.581687 -0.000799 -0.037324 0.010092 -0.237129 -0.027529 -0.153276 -0.003428 0.018452 0.011638 0.021253 0.002590 0.062252 0.089679 0.194227 -0.484720 0.058749 0.001831 -0.013209 -0.010772 -0.018581 -0.015056 0.324904 0.392498 1.269256 -0.010386 -0.003309 0.008694 0.246084 0.172610 -0.333497 -0.022636 -0.000135 -0.018321 0.269375 -0.070037 -0.240339 0.029960 -0.011107 0.013996 -0.055684 0.037728 -0.006115 -0.127642 -0.031523 0.022083 0.024821 0.013573 0.011397 0.044060 -0.016938 0.010663 0.009372 -0.001066 0.069165 -0.024214 0.006366 -0.010860 -0.185195 0.068083 0.264795 -0.107340 -0.124548 -0.798323 0.054559 -0.009930 0.021053 -0.085647 -0.088413 -0.004408 0.071700 0.020799 0.029619 -0.089009 -0.128989 -0.071113 -0.133927 -0.074371 -0.014606 0.015592 -0.086999 -0.056387 -0.239462 -0.049189 0.275938 0.020197 -0.008171 -0.095401 0.099143 0.057532 -0.277163 0.060812 0.005794 -0.015220 -0.005775 -0.005576 -0.012965 -0.021684 0.022006 0.004510 0.186399 0.089135 0.310338 0.113263 0.185156 -0.120418 0.086452 0.120713 -0.077994 -0.033371 -0.014977 -0.029359 0.004655 0.001135 0.037795 0.098377 0.009082 -0.026116 0.005669 0.016142 0.005138 -0.005592 -0.024954 0.006324 0.000999 0.003719 0.006389 0.158080 0.009103 -0.576817 0.024253 -0.012882 -0.652383 0.058047 0.043624 0.031596 0.011957 0.026257 0.003016 -0.004635 0.008932 0.008179 0.014070 -0.006780 -0.013345 0.180969 -0.091142 -0.094051 -0.010720 -0.007738 -0.010234 -0.042224 0.046041 -0.110724 -0.167544 -0.049229 -0.124047 0.016346 0.008909 -0.014205 -0.166234 -0.073138 0.117727 0.002250 -0.014918 -0.019328 0.010312 0.026467 0.007008 0.016516 0.070551 0.007978 -0.077227 -0.165524 -0.134749 -0.596655 -0.166288 0.412265 -0.083484 0.024960 0.099123 0.031680 0.021953 0.210897 0.034615 0.010170 0.043000 -0.032402 0.030124 -0.137844 -0.036907 -0.018241 0.011033 0.020047 0.038142 0.026951 -0.015477 -0.156019 -0.437909 0.001611 0.022115 -0.010363 0.055648 -0.037540 0.000229 0.551568 -0.303374 0.971915 -0.055021 0.009488 -0.022026 0.093052 -0.121486 -0.364465 -0.042953 0.004565 -0.018446 0.034291 0.070295 0.124444 0.044461 0.029110 0.005768 -0.029828 -0.026124 -0.026462 0.000471 0.037828 0.457121 0.014117 0.000683 0.001669 0.069160 0.005981 0.014979 -0.395572 0.106759 0.099201 -0.001260 0.018104 -0.017613 -0.213962 -0.023695 0.582160 -0.000324 -0.037571 0.007605 -0.237235 -0.027285 -0.153260 -0.003735 0.020277 0.010748 0.023460 -0.000757 0.041550 0.097050 0.193852 -0.484233 0.054598 0.000498 -0.014470 -0.010135 -0.019770 -0.016307 0.324055 0.391889 1.267784 -0.009921 -0.003923 0.008797 0.246226 0.172442 -0.332947 -0.021963 0.001223 -0.017972 0.269852 -0.069441 -0.240564 0.028079 -0.015429 0.012840 -0.055943 0.039071 -0.006922 -0.134863 -0.031662 0.022312 0.021993 0.012027 0.011220 0.041416 -0.009967 0.011834 0.000005 0.003567 0.115210 -0.017631 0.005405 -0.007356 -0.185393 0.068130 0.264465 -0.109516 -0.125441 -0.798571 0.045787 -0.012659 0.019255 -0.043466 -0.067478 0.000447 0.057366 0.017790 0.021913 -0.090258 -0.130829 -0.073869 -0.097593 -0.052087 -0.008915 0.012902 -0.072195 -0.044975 -0.239517 -0.049271 0.276030 0.019758 -0.006297 -0.079292 0.099135 0.059091 -0.276903 0.045366 0.002899 -0.008303 -0.006421 -0.007621 -0.012301 -0.017891 0.020501 0.009144 0.186184 0.089371 0.310045 0.114182 0.184828 -0.117735 0.085931 0.121451 -0.075132 -0.026422 -0.011560 -0.027444 0.004420 -0.000256 0.032876 0.065431 0.009317 -0.027592 0.008176 0.015463 0.005892 -0.009405 -0.022602 0.004022 -0.002617 0.000233 0.003197 0.158176 0.009154 -0.576712 0.023832 -0.012893 -0.652607 0.059442 0.043961 0.030910 0.008279 0.023691 0.003540 -0.002096 0.005799 0.008210 0.013772 -0.007020 -0.010870 0.180848 -0.091426 -0.094463 -0.009603 -0.003829 -0.008948 -0.042002 0.046010 -0.111757 -0.167593 -0.049281 -0.124038 0.015126 0.008507 -0.015712 -0.167390 -0.073205 0.114155 0.003172 -0.013507 -0.017054 0.009768 0.022068 0.008449 0.010409 0.066825 0.005784 -0.077046 -0.166372 -0.136098 -0.596750 -0.166039 0.410830 -0.066113 0.020367 0.086120 0.031428 0.019846 0.211112 0.031974 0.009618 0.037703 -0.032528 0.030472 -0.137912 -0.032453 -0.014744 0.009694 0.015712 0.029178 0.022058 -0.013856 -0.156038 -0.439873 -0.000407 0.020609 -0.008088 0.046965 -0.039701 -0.001904 0.551824 -0.302651 0.972885 -0.042405 0.009643 -0.021628 0.093136 -0.121016 -0.366051 -0.037832 0.005182 -0.014964 0.034210 0.069188 0.123998 0.039946 0.024508 0.005635 -0.023531 -0.028066 -0.024474 -0.001476 0.037894 0.457456 0.011890 0.000790 0.000183 0.054964 0.009235 0.020335 -0.394900 0.106948 0.097643 0.003722 0.016447 -0.016589 -0.213856 -0.021558 0.582569 -0.001637 -0.036937 0.004574 -0.237490 -0.027636 -0.153384 -0.003081 0.018944 0.011789 0.037216 -0.010168 -0.009100 0.097926 0.193847 -0.484597 0.045881 -0.002209 -0.013642 -0.013737 -0.016865 -0.017630 0.321240 0.390356 1.265276 -0.010633 -0.005446 0.008897 0.246141 0.172417 -0.333689 -0.018721 0.002100 -0.018572 0.269874 -0.068496 -0.240895 0.021981 -0.021984 0.010485 -0.047979 0.037876 -0.006784 -0.136207 -0.031800 0.021952 0.011876 0.009767 0.010503 0.042079 -0.012112 0.011178 -0.019474 0.013682 0.205867 -0.005331 0.001168 0.002332 -0.186432 0.068617 0.264261 -0.113030 -0.126726 -0.799307 0.030032 -0.017209 0.016324 0.033734 -0.027745 0.005790 0.024797 0.007004 0.011116 -0.091966 -0.134145 -0.078115 -0.021414 -0.010435 0.004690 0.007155 -0.040246 -0.025340 -0.240193 -0.049374 0.276756 0.016701 -0.002109 -0.046098 0.098718 0.062319 -0.277023 0.013895 -0.002442 0.004989 -0.007221 -0.011167 -0.009860 -0.010896 0.016140 0.017848 0.187707 0.088973 0.309083 0.116891 0.184521 -0.114826 0.085007 0.123004 -0.071478 -0.012666 -0.006165 -0.021408 0.004392 -0.001123 0.024238 -0.000838 0.010272 -0.027574 0.012530 0.011055 0.005320 -0.013695 -0.018095 0.000778 -0.007616 -0.005896 -0.002097 0.158788 0.009447 -0.577529 0.023852 -0.012648 -0.652828 0.062228 0.044799 0.029176 0.001611 0.019792 0.004312 0.002883 0.000085 0.007848 0.011338 -0.007222 -0.007010 0.181828 -0.091006 -0.095229 -0.006687 0.002126 -0.006885 -0.041913 0.046216 -0.113398 -0.167510 -0.049167 -0.123968 0.015267 0.008600 -0.017948 -0.169243 -0.073170 0.107485 0.006602 -0.010154 -0.011945 0.010491 0.012883 0.012347 0.000062 0.057863 -0.000694 -0.076303 -0.167200 -0.139129 -0.595173 -0.165407 0.408614 -0.021211 0.008527 0.053607 0.029561 0.019988 0.213582 0.022016 0.006892 0.020359 -0.031625 0.031398 -0.136854 -0.018924 -0.008869 0.007766 0.007176 0.014090 0.012136 -0.017588 -0.155897 -0.439203 -0.010285 0.013556 -0.009750 0.015752 -0.034216 0.001575 0.550809 -0.300282 0.973860 -0.009239 0.009057 -0.019588 0.095535 -0.119634 -0.368647 -0.021288 0.006810 -0.005965 0.033429 0.070062 0.125006 0.022830 0.008142 0.004467 -0.010191 -0.026976 -0.021019 0.002563 0.038266 0.458187 0.013338 0.001044 -0.001037 0.021216 0.007926 0.024558 -0.391947 0.107733 0.097576 0.013046 0.010013 -0.017148 -0.213355 -0.020534 0.584871 -0.004453 -0.031604 -0.005502 -0.236697 -0.028143 -0.152188 -0.000527 0.016179 0.008640 0.059769 -0.034359 -0.118032 0.092351 0.194122 -0.483980 0.021434 -0.006908 -0.011016 -0.018738 -0.011369 -0.020495 0.314470 0.386622 1.266283 -0.010254 -0.009651 0.003541 0.246668 0.172483 -0.334071 -0.008244 0.007302 -0.011333 0.269310 -0.069286 -0.240032 0.005994 -0.032053 0.004656 -0.025256 0.033062 -0.005843 -0.130980 -0.031844 0.022376 -0.009483 0.004063 0.009617 0.034107 -0.005428 0.009555 -0.060320 0.033661 0.391916 0.016403 -0.007641 0.016617 -0.187301 0.068349 0.263637 -0.121065 -0.129928 -0.800363 -0.007364 -0.024829 0.007788 0.198202 0.055722 0.011728 -0.027274 -0.008019 -0.012628 -0.095624 -0.141373 -0.086303 0.135033 0.078921 0.027373 -0.002165 0.028616 0.014090 -0.240364 -0.049660 0.277855 0.010660 0.004917 0.016801 0.097707 0.067858 -0.276541 -0.051228 -0.012734 0.031168 -0.008919 -0.020010 -0.005176 0.003150 0.008936 0.034225 0.188558 0.088594 0.307026 0.122049 0.184683 -0.106459 0.083651 0.125416 -0.062576 0.014851 0.007099 -0.009108 0.004193 -0.003668 0.007045 -0.137424 0.011573 -0.027260 0.020251 0.001086 0.004928 -0.021304 -0.009890 -0.005490 -0.017451 -0.018938 -0.012573 0.159829 0.009439 -0.578478 0.023659 -0.012933 -0.653179 0.068197 0.045710 0.026956 -0.011030 0.011378 0.005295 0.011239 -0.011222 0.007497 0.006443 -0.007933 -0.000341 0.182534 -0.091403 -0.096930 -0.001461 0.012608 -0.003050 -0.041802 0.045941 -0.116806 -0.167432 -0.049615 -0.124007 0.009915 0.008895 -0.022867 -0.173301 -0.073786 0.095001 0.012902 -0.005190 -0.002014 0.010621 -0.007079 0.019038 -0.022731 0.043213 -0.013073 -0.075070 -0.170190 -0.143785 -0.591307 -0.164588 0.405681 0.075173 -0.012138 -0.010425 0.026259 0.018945 0.220022 0.000196 -0.000072 -0.013362 -0.031021 0.032192 -0.134654 0.007850 0.004187 0.006395 -0.012065 -0.016708 -0.008205 -0.020768 -0.156410 -0.438958 -0.032194 0.002197 -0.008004 -0.044900 -0.020389 0.008552 0.548524 -0.296589 0.975398 0.056513 0.007140 -0.015233 0.099563 -0.117145 -0.372286 0.010995 0.010104 0.011432 0.032598 0.069607 0.126714 -0.008666 -0.022956 0.000133 0.014519 -0.026203 -0.014052 0.006129 0.038250 0.459421 0.018248 0.003650 -0.002662 -0.049628 0.011272 0.034722 -0.386584 0.108826 0.098196 0.033612 -0.005258 -0.019776 -0.212433 -0.018963 0.591304 -0.010241 -0.023822 -0.024236 -0.236403 -0.029493 -0.149800 0.005172 0.008406 0.003382 0.108352 -0.079976 -0.343393 0.089572 0.193958 -0.482655 -0.023071 -0.016307 -0.004025 -0.031018 0.000716 -0.026308 0.300965 0.378491 1.269808 -0.010904 -0.019057 -0.008181 0.247387 0.171509 -0.333466 0.011945 0.013363 0.002184 0.268963 -0.069951 -0.238708 -0.028003 -0.054963 -0.006879 0.020015 0.023328 -0.005324 -0.129326 -0.032553 0.023635 -0.051455 -0.009229 0.008937 0.018023 0.010055 0.007697 -0.035772 0.021733 0.283995 0.003268 -0.000999 0.007276 -0.186398 0.068750 0.264214 -0.115818 -0.127812 -0.798826 0.016684 -0.019361 0.013559 0.104952 0.002468 0.004879 0.006470 0.000614 0.003553 -0.092865 -0.136596 -0.080277 0.043119 0.027678 0.012991 0.003322 -0.012369 -0.009740 -0.239833 -0.049510 0.277237 0.014946 0.001034 -0.019729 0.099414 0.064179 -0.276165 -0.013001 -0.006025 0.016498 -0.007658 -0.014555 -0.008535 -0.005248 0.012331 0.024259 0.188030 0.089870 0.309542 0.118094 0.185100 -0.111015 0.084554 0.124064 -0.067475 -0.001750 -0.000351 -0.016990 0.004796 -0.002354 0.017393 -0.058211 0.010607 -0.024758 0.014346 0.005545 0.005683 -0.013760 -0.014289 -0.001128 -0.009559 -0.010658 -0.005083 0.159478 0.009555 -0.577568 0.024005 -0.012629 -0.653068 0.064183 0.045003 0.030360 -0.003548 0.017203 0.004808 0.006345 -0.003776 0.007939 0.007001 -0.007771 -0.004839 0.182186 -0.091216 -0.095217 -0.003867 0.005995 -0.004765 -0.041395 0.046182 -0.114015 -0.167351 -0.049213 -0.123567 0.015788 0.009143 -0.019472 -0.170885 -0.073369 0.103601 0.009666 -0.008170 -0.007208 0.010294 0.003229 0.016029 -0.009306 0.052913 -0.005339 -0.076002 -0.168411 -0.140021 -0.597225 -0.164817 0.407118 0.024147 -0.000036 0.019329 0.028948 0.015268 0.216953 0.008997 0.005645 0.001308 -0.031588 0.031951 -0.136361 -0.004264 -0.001784 0.006252 -0.000722 -0.001566 0.004114 -0.018301 -0.156278 -0.442715 -0.022975 0.004875 -0.007406 -0.014289 -0.024778 0.004291 0.553871 -0.298597 0.974696 0.021287 0.007946 -0.017372 0.097560 -0.118356 -0.370035 -0.003232 0.008769 0.002349 0.033610 0.069205 0.125617 0.004632 -0.006921 0.002855 -0.002033 -0.022102 -0.015421 0.003264 0.038256 0.459632 0.016232 0.002072 -0.001654 -0.019177 0.006241 0.025118 -0.390028 0.108448 0.097788 0.022278 0.000445 -0.015208 -0.212433 -0.015447 0.588494 -0.007205 -0.027382 -0.016956 -0.236823 -0.028723 -0.151478 0.001762 0.011411 0.005986 0.075807 -0.052205 -0.221717 0.092126 0.194285 -0.484177 -0.000857 -0.012025 -0.005071 -0.021886 -0.004998 -0.022675 0.309791 0.383228 1.267319 -0.009885 -0.014493 -0.001795 0.246823 0.172175 -0.333346 0.001427 0.011865 -0.002101 0.269681 -0.068684 -0.239740 -0.011332 -0.042849 -0.001128 0.001160 0.023635 -0.003783 -0.131008 -0.031936 0.022851 -0.030385 -0.003380 0.010449 0.023530 0.007876 0.008602 0.011959 -0.000186 0.065433 0.008637 -0.002172 0.010417 -0.186223 0.068019 0.263836 -0.118397 -0.128859 -0.799713 0.004412 -0.016916 0.008517 0.103760 0.016328 0.010266 -0.008806 -0.001499 -0.004289 -0.094216 -0.138665 -0.082823 0.067111 0.036117 0.015587 0.001726 0.007872 0.001954 -0.239577 -0.049199 0.277432 0.010924 0.002647 -0.001807 0.097873 0.065845 -0.276301 -0.013475 -0.006124 0.012638 -0.006807 -0.015317 -0.005191 -0.001433 0.008025 0.023896 0.187387 0.089188 0.307718 0.120832 0.185997 -0.108355 0.084429 0.124529 -0.065483 0.004684 0.001899 -0.011317 0.003513 -0.001656 0.012013 -0.072795 0.010521 -0.026804 0.015499 0.004088 0.005297 -0.016401 -0.010961 -0.001733 -0.010853 -0.013103 -0.008003 0.159535 0.009443 -0.578171 0.023880 -0.012925 -0.653083 0.066628 0.045563 0.027712 -0.006278 0.013229 0.004264 0.005679 -0.006132 0.005784 0.007053 -0.006616 -0.003982 0.181706 -0.091647 -0.095994 -0.003059 0.006665 -0.004088 -0.041918 0.046019 -0.115180 -0.167403 -0.049448 -0.123862 0.013430 0.007771 -0.020478 -0.171522 -0.073923 0.101828 0.009093 -0.005700 -0.005590 0.009424 -0.002605 0.015188 -0.011545 0.049448 -0.008101 -0.075775 -0.169398 -0.140520 -0.591074 -0.164815 0.405513 0.029329 -0.003815 0.013579 0.028086 0.021443 0.216067 0.011170 0.001801 0.001959 -0.031638 0.031316 -0.136023 -0.003835 -0.002314 0.005833 -0.002755 -0.005395 -0.000017 -0.019231 -0.156160 -0.437868 -0.025688 0.004512 -0.014848 -0.012517 -0.026096 0.007826 0.548424 -0.299045 0.972019 0.026351 0.005770 -0.012730 0.097120 -0.118505 -0.370290 -0.002335 0.009027 0.003908 0.033468 0.068803 0.125535 0.006267 -0.010181 0.001954 0.001675 -0.028455 -0.015800 0.004826 0.038077 0.457608 0.021559 0.001193 -0.002920 -0.007514 0.013021 0.032909 -0.389655 0.108474 0.097943 0.024306 -0.000843 -0.018474 -0.212807 -0.021963 0.587570 -0.005969 -0.025753 -0.013375 -0.236779 -0.028493 -0.151474 0.001112 0.012826 0.003788 0.025841 -0.033877 -0.000997 0.095149 0.193957 -0.483370 -0.002535 -0.011577 -0.006514 -0.025658 -0.003354 -0.021793 0.307702 0.382644 1.269702 -0.008634 -0.014111 -0.004249 0.247104 0.172320 -0.333876 0.003419 0.010560 -0.003949 0.269449 -0.068759 -0.239697 -0.012407 -0.040672 -0.002056 -0.000095 0.028074 -0.004481 -0.134323 -0.032130 0.022841 -0.036167 -0.004039 0.009706 0.026565 0.000372 0.009628 0.040841 -0.013675 -0.061950 0.011577 -0.002594 0.011542 -0.187509 0.068319 0.263624 -0.118975 -0.129573 -0.799926 0.000042 -0.017469 0.007561 0.107242 0.024612 0.009593 -0.014961 -0.003115 -0.006710 -0.094945 -0.139506 -0.084322 0.079754 0.041822 0.018124 -0.000849 0.018075 0.009055 -0.240704 -0.049613 0.277637 0.010000 0.003551 0.006829 0.098438 0.066525 -0.276683 -0.014737 -0.005079 0.011863 -0.006623 -0.013944 -0.005086 0.001040 0.007365 0.023586 0.188894 0.089298 0.308033 0.120810 0.185164 -0.109528 0.083619 0.124869 -0.066023 0.008013 0.001873 -0.010050 0.003304 -0.004229 0.008597 -0.080452 0.010283 -0.026562 0.016618 0.002500 0.005366 -0.017641 -0.008223 -0.003950 -0.011801 -0.014792 -0.009115 0.159566 0.009377 -0.578414 0.023762 -0.012925 -0.653632 0.066877 0.045817 0.027408 -0.007681 0.010273 0.004207 0.008017 -0.007919 0.004479 0.005361 -0.007254 -0.002818 0.182600 -0.091602 -0.096027 -0.002532 0.007956 -0.003168 -0.041630 0.045975 -0.115933 -0.167610 -0.049520 -0.124091 0.010981 0.006885 -0.021009 -0.171568 -0.074304 0.099852 0.008691 -0.003508 -0.003809 0.008948 -0.006723 0.015575 -0.013025 0.048546 -0.009550 -0.076178 -0.169232 -0.141821 -0.592858 -0.164575 0.405047 0.034782 -0.006863 0.007886 0.028074 0.017324 0.216894 0.010274 0.006444 -0.000512 -0.031228 0.031816 -0.135985 -0.001011 -0.000186 0.005609 -0.004697 -0.009710 -0.002826 -0.022625 -0.156565 -0.440954 -0.022268 0.003914 -0.008292 -0.009682 -0.025650 0.004624 0.549668 -0.298731 0.976306 0.029157 0.005355 -0.014049 0.097263 -0.118145 -0.370689 0.000550 0.010893 0.006174 0.032761 0.068502 0.126191 0.005166 -0.009477 0.002439 0.005544 -0.028330 -0.015553 0.007480 0.038033 0.458334 0.016236 0.002050 -0.002238 -0.008217 0.018552 0.035909 -0.389729 0.108359 0.097249 0.026026 -0.001914 -0.017882 -0.213128 -0.018031 0.588022 -0.006571 -0.029736 -0.013597 -0.236475 -0.028985 -0.151065 0.001245 0.011083 0.003447 -0.005307 -0.023275 0.124729 0.089047 0.194122 -0.483751 -0.004235 -0.011605 -0.005582 -0.029122 -0.001414 -0.022078 0.307052 0.382061 1.269117 -0.008622 -0.014646 -0.004135 0.247177 0.172276 -0.333993 0.005396 0.008831 -0.002628 0.268888 -0.068491 -0.239300 -0.014731 -0.043179 -0.003028 0.005525 0.025022 -0.004490 -0.128499 -0.032219 0.022908 -0.039760 -0.005282 0.009629 0.025881 -0.001914 0.009360 0.041420 -0.015503 -0.066213 0.011415 -0.001456 0.010822 -0.186173 0.067990 0.263375 -0.119611 -0.129994 -0.799482 -0.003590 -0.011654 0.004518 0.080370 0.022222 0.013666 -0.014740 -0.003121 -0.004906 -0.095115 -0.139609 -0.084642 0.066144 0.029550 0.014911 -0.000440 0.022860 0.013023 -0.239377 -0.049379 0.277593 0.007478 0.003686 0.016129 0.098613 0.066610 -0.276576 -0.015177 -0.003972 0.009794 -0.003655 -0.011867 -0.003091 0.003311 0.003841 0.018403 0.187515 0.089651 0.307533 0.121825 0.185973 -0.107064 0.083321 0.125107 -0.065205 0.010030 0.002252 -0.006112 0.002129 -0.003047 0.004887 -0.063891 0.009450 -0.025853 0.016969 0.001678 0.006372 -0.015486 -0.004948 -0.002751 -0.008986 -0.013650 -0.008806 0.159611 0.009383 -0.578144 0.023892 -0.012954 -0.652869 0.068141 0.046209 0.027290 -0.007237 0.007911 0.003872 0.005059 -0.007752 0.002120 0.004454 -0.006274 -0.003808 0.181869 -0.091883 -0.096180 -0.001839 0.005895 -0.003271 -0.041574 0.046026 -0.116089 -0.167375 -0.049556 -0.124441 0.012785 0.005123 -0.020116 -0.170927 -0.074871 0.101516 0.006880 -0.001745 -0.002741 0.008228 -0.011914 0.015046 -0.009742 0.049520 -0.009925 -0.076241 -0.169567 -0.140084 -0.592482 -0.164420 0.404613 0.031597 -0.006132 -0.003749 0.027585 0.018213 0.217456 0.005812 0.004207 -0.007016 -0.031688 0.031866 -0.135628 0.003276 -0.001139 0.004668 -0.004290 -0.011586 -0.005754 -0.018575 -0.156387 -0.440574 -0.027887 -0.000699 -0.010585 -0.004086 -0.019535 0.005925 0.550626 -0.298758 0.973049 0.025849 0.002294 -0.010825 0.098538 -0.117285 -0.370574 0.005929 0.009965 0.008241 0.033766 0.069817 0.125507 0.000917 -0.005498 0.002120 0.007047 -0.027126 -0.013144 0.004057 0.038137 0.458450 0.022900 0.001018 -0.004036 -0.002700 0.015080 0.033217 -0.389544 0.108849 0.099167 0.023045 -0.003381 -0.020735 -0.213268 -0.018955 0.587985 -0.007898 -0.026344 -0.014183 -0.236957 -0.029091 -0.151096 0.000580 0.009952 0.000518 -0.007245 -0.021206 0.143970 0.095080 0.193942 -0.483534 -0.006413 -0.010346 -0.004517 -0.030873 0.000345 -0.018524 0.307835 0.382035 1.267649 -0.007241 -0.012929 -0.003002 0.247801 0.171930 -0.333699 0.007121 0.009213 -0.000715 0.269854 -0.069891 -0.239605 -0.014711 -0.038089 -0.004931 0.011286 0.023001 -0.005972 -0.134075 -0.032273 0.022776 -0.031856 -0.006753 0.007398 0.021003 0.001740 0.007185 0.041366 -0.019930 -0.068898 0.012734 0.002644 0.007745 -0.186510 0.068389 0.263197 -0.120293 -0.131620 -0.798404 -0.006355 -0.003318 0.000640 0.011273 0.019530 0.023633 -0.015235 -0.002328 -0.000688 -0.096845 -0.140511 -0.085965 0.031480 -0.001593 0.008498 0.000022 0.037889 0.024695 -0.239501 -0.049841 0.278345 -0.000674 0.004484 0.042821 0.098747 0.068136 -0.276021 -0.019291 0.000868 0.004309 0.002319 -0.001358 0.002180 0.007623 -0.007774 0.002822 0.187768 0.089020 0.306995 0.124063 0.185326 -0.106846 0.081709 0.125998 -0.066916 0.013632 -0.001017 0.004396 -0.002040 -0.005245 -0.005761 -0.015753 0.006821 -0.021941 0.020243 -0.000977 0.009364 -0.011690 0.005995 -0.003055 -0.002262 -0.013136 -0.007784 0.159261 0.009252 -0.578058 0.023580 -0.012838 -0.652207 0.069719 0.047967 0.025758 -0.005430 0.000415 0.004077 0.003265 -0.007801 -0.005932 -0.000520 -0.004512 -0.005550 0.181879 -0.091614 -0.095272 -0.000591 0.002867 -0.001677 -0.041630 0.046213 -0.116395 -0.167725 -0.049574 -0.124724 0.016490 -0.001356 -0.017287 -0.168966 -0.076935 0.105048 0.000028 0.005573 0.000852 0.004515 -0.028423 0.011729 -0.002267 0.053142 -0.006399 -0.078151 -0.168115 -0.137569 -0.591669 -0.163783 0.401396 0.008937 -0.007763 -0.023409 0.027288 0.019933 0.216981 0.001673 0.002511 -0.016221 -0.031464 0.032019 -0.135396 0.010107 -0.000998 0.001666 -0.000771 -0.014122 -0.010758 -0.017236 -0.156584 -0.439213 -0.023974 -0.013865 -0.016021 0.021292 -0.006539 0.009332 0.549865 -0.299838 0.975203 0.007434 -0.006138 -0.005501 0.099262 -0.118184 -0.370556 0.012247 0.005036 0.012006 0.033127 0.069907 0.125357 -0.003308 0.004347 0.004462 0.007790 -0.023896 -0.006687 0.002225 0.038292 0.458567 0.023156 -0.002602 -0.005191 0.028283 0.009213 0.026042 -0.391951 0.109582 0.100080 0.012996 -0.004600 -0.018875 -0.214870 -0.020897 0.584555 -0.008797 -0.018379 -0.004634 -0.237187 -0.028972 -0.151054 -0.004052 0.006163 -0.006735 0.002520 -0.011885 0.136910 0.093865 0.194391 -0.483274 0.002669 -0.002723 0.001245 -0.031932 0.001285 -0.012295 0.311480 0.383827 1.269998 -0.001565 -0.007699 -0.003621 0.248782 0.174249 -0.333735 0.007474 0.010345 -0.000499 0.269641 -0.069596 -0.239836 -0.009782 -0.019198 -0.005518 0.012694 0.014041 -0.005621 -0.132754 -0.032235 0.022748 -0.020186 -0.007563 0.003780 0.016704 0.002205 0.000566 0.040412 -0.028430 -0.075094 0.015315 0.009130 0.001242 -0.186188 0.068426 0.262301 -0.122207 -0.134768 -0.796643 -0.018084 0.018661 -0.014235 -0.140603 0.016351 0.045384 -0.017874 -0.000592 0.006523 -0.099561 -0.142318 -0.088006 -0.042144 -0.069445 -0.004119 0.000065 0.068085 0.052027 -0.238796 -0.050189 0.279213 -0.015160 0.006166 0.094407 0.100062 0.070525 -0.275215 -0.025771 0.012153 -0.004728 0.013305 0.016642 0.011106 0.016882 -0.029183 -0.030870 0.187928 0.089677 0.306205 0.127955 0.186885 -0.105774 0.079621 0.127659 -0.070001 0.020722 -0.007240 0.024121 -0.008977 -0.006414 -0.026004 0.077704 0.001467 -0.014816 0.026660 -0.008025 0.013356 -0.004541 0.026510 -0.003731 0.010921 -0.010634 -0.005714 0.159039 0.009068 -0.578900 0.023763 -0.012787 -0.651566 0.073727 0.050817 0.023880 -0.003453 -0.014293 0.004146 -0.003806 -0.008580 -0.021394 -0.008968 -0.001913 -0.009074 0.181920 -0.091918 -0.094289 0.002049 -0.005347 -0.000975 -0.041255 0.046472 -0.117655 -0.168080 -0.049651 -0.125754 0.024697 -0.014212 -0.012824 -0.165129 -0.080783 0.111754 -0.012361 0.019970 0.007367 -0.004611 -0.060043 0.006453 0.015440 0.060523 -0.002058 -0.081273 -0.166721 -0.132615 -0.592871 -0.161831 0.396620 -0.030358 -0.014257 -0.059876 0.027282 0.017383 0.217934 -0.005810 0.006281 -0.036356 -0.030941 0.032251 -0.134710 0.022170 0.000034 -0.001016 0.006790 -0.018353 -0.024567 -0.017641 -0.157351 -0.441398 -0.016913 -0.039138 -0.018741 0.072255 0.024833 0.009592 0.552739 -0.302303 0.976784 -0.029688 -0.023632 0.008995 0.101303 -0.119083 -0.368937 0.025518 0.000062 0.018695 0.032583 0.070945 0.125606 -0.012164 0.023753 0.007772 0.010334 -0.015143 0.006110 0.002218 0.038557 0.459096 0.029206 -0.008823 -0.006128 0.087505 0.003792 0.013178 -0.396394 0.110587 0.102223 -0.006982 -0.009297 -0.017079 -0.218251 -0.019310 0.579675 -0.010858 -0.007726 0.012963 -0.237507 -0.028912 -0.150109 -0.012360 -0.004974 -0.019807 0.017853 -0.004345 0.127462 0.094774 0.195050 -0.482595 0.023009 0.012742 0.010492 -0.030506 0.005218 0.005369 0.319234 0.386992 1.277014 0.007774 0.004688 -0.007487 0.251543 0.177849 -0.332320 0.009663 0.006973 0.003681 0.269853 -0.070399 -0.239787 0.002279 0.025038 -0.008928 0.022151 -0.005898 -0.006871 -0.132936 -0.032384 0.023353 0.003410 -0.010048 -0.005706 0.001388 -0.001521 -0.007631 0.041313 -0.026416 -0.071046 0.013924 0.006593 0.003560 -0.186598 0.068519 0.263004 -0.121114 -0.133950 -0.797061 -0.011744 0.009029 -0.008598 -0.079551 0.016485 0.036591 -0.015326 -0.000853 0.006149 -0.098940 -0.141768 -0.087080 -0.019838 -0.049125 0.000585 0.000342 0.058132 0.043649 -0.239279 -0.050438 0.279380 -0.010741 0.005571 0.080248 0.099551 0.069514 -0.275238 -0.024646 0.008366 -0.001504 0.009582 0.011499 0.008752 0.014506 -0.023168 -0.020673 0.188119 0.088756 0.306925 0.126597 0.185056 -0.106267 0.079659 0.127071 -0.069002 0.018766 -0.006104 0.019114 -0.007316 -0.006952 -0.019882 0.048338 0.003100 -0.014459 0.024469 -0.006221 0.012503 -0.006750 0.020244 -0.003884 0.006446 -0.011400 -0.006520 0.158986 0.009046 -0.578004 0.023506 -0.012934 -0.651251 0.071992 0.049643 0.024311 -0.004458 -0.010009 0.004519 -0.000164 -0.009413 -0.016367 -0.006305 -0.003150 -0.007607 0.181985 -0.091696 -0.094222 0.001180 -0.002744 -0.001243 -0.041493 0.046245 -0.116866 -0.168172 -0.049712 -0.125277 0.022811 -0.010779 -0.014393 -0.166432 -0.079681 0.109459 -0.007742 0.015660 0.006065 -0.002196 -0.051612 0.009287 0.010486 0.058633 -0.001886 -0.080341 -0.166948 -0.134209 -0.592331 -0.162344 0.397036 -0.019003 -0.012958 -0.055732 0.027110 0.018774 0.217643 -0.007012 0.004314 -0.035757 -0.030929 0.032948 -0.134458 0.020111 0.000407 -0.001389 0.006270 -0.017641 -0.020420 -0.016462 -0.157290 -0.440011 -0.011845 -0.036693 -0.018201 0.056150 0.022249 0.012081 0.550904 -0.301771 0.979128 -0.020356 -0.020408 0.004717 0.101356 -0.119313 -0.369305 0.022956 0.001223 0.016675 0.032334 0.072092 0.125740 -0.013799 0.022668 0.005789 0.007889 -0.009862 0.006101 0.000631 0.038401 0.459777 0.019827 -0.008489 -0.003711 0.062793 0.000244 0.010466 -0.395727 0.110300 0.102804 -0.006602 -0.009469 -0.016505 -0.217833 -0.020680 0.580103 -0.007995 -0.002873 0.010742 -0.237439 -0.029825 -0.150017 -0.011486 -0.004029 -0.018538 0.010219 -0.001817 0.114259 0.091325 0.194938 -0.482555 0.013015 0.010592 0.009844 -0.025156 0.003144 0.006145 0.317319 0.386089 1.273079 0.007617 0.004588 -0.004451 0.250888 0.177028 -0.332224 0.008620 0.006047 0.004774 0.269595 -0.071813 -0.239518 0.001249 0.016234 -0.008963 0.020680 -0.007595 -0.005573 -0.129870 -0.032574 0.023263 0.003003 -0.009733 -0.005398 -0.001432 0.002806 -0.009005 0.000347 -0.008302 0.097301 0.007620 0.007881 -0.000882 -0.186185 0.068287 0.262598 -0.119568 -0.134367 -0.797628 -0.013656 0.015889 -0.011583 -0.070833 0.010627 0.042004 -0.011019 0.001689 0.005793 -0.098818 -0.139556 -0.085802 -0.032598 -0.042146 -0.006862 0.001139 0.045585 0.033858 -0.238800 -0.049683 0.279231 -0.012104 0.004031 0.067739 0.098692 0.068456 -0.276326 -0.023255 0.007237 -0.000311 0.008957 0.010349 0.009012 0.011355 -0.022157 -0.026336 0.187125 0.088964 0.306003 0.127733 0.185717 -0.104599 0.078801 0.127824 -0.069173 0.016025 -0.005371 0.020092 -0.007027 -0.003475 -0.021831 0.049772 0.001959 -0.015764 0.025397 -0.004766 0.010819 -0.009511 0.022217 -0.004748 0.008209 -0.005642 -0.004226 0.158654 0.009304 -0.578323 0.023543 -0.012584 -0.651308 0.071212 0.049646 0.023802 -0.003536 -0.010092 0.004602 -0.004460 -0.009000 -0.016893 -0.004428 -0.002725 -0.005640 0.181331 -0.091475 -0.094745 0.002181 -0.004680 -0.001497 -0.042097 0.046558 -0.116591 -0.168271 -0.049409 -0.125945 0.026571 -0.011757 -0.009933 -0.165691 -0.079295 0.110241 -0.008076 0.012271 0.007523 -0.004272 -0.043466 0.005242 0.007389 0.051574 -0.003687 -0.080786 -0.166824 -0.134873 -0.590074 -0.162284 0.397674 -0.020121 -0.007485 -0.046466 0.027066 0.021589 0.215786 -0.005408 0.002003 -0.029730 -0.031135 0.032161 -0.135087 0.018524 -0.002904 0.000866 0.007004 -0.013343 -0.018448 -0.016967 -0.156773 -0.437223 -0.018384 -0.030982 -0.025527 0.052516 0.017103 0.012851 0.549263 -0.301419 0.974860 -0.019612 -0.017694 0.006928 0.100323 -0.118975 -0.370000 0.021505 -0.000272 0.016992 0.032256 0.070944 0.125373 -0.010819 0.018082 0.005038 0.009825 -0.018798 0.004959 0.001218 0.038764 0.457851 0.032684 -0.012883 -0.006564 0.068402 0.008297 0.021731 -0.395409 0.110332 0.102325 -0.005829 -0.004106 -0.015185 -0.217537 -0.023231 0.579677 -0.010922 -0.005779 0.009097 -0.237637 -0.028558 -0.150537 -0.009356 -0.002934 -0.017256 0.059037 -0.025313 -0.025339 0.095558 0.195063 -0.482413 0.017484 0.007773 0.008604 -0.032248 0.001414 0.004013 0.317018 0.385597 1.272522 0.005569 0.003226 -0.005264 0.250226 0.177600 -0.334034 0.006357 0.007328 0.002983 0.269443 -0.070188 -0.239877 0.000790 0.011700 -0.007176 0.017234 -0.000054 -0.006367 -0.134396 -0.032256 0.023018 0.002923 -0.009369 -0.005909 0.006568 -0.002668 -0.005099 -0.091912 0.033111 0.497302 -0.004582 0.009656 -0.007944 -0.185903 0.068322 0.262239 -0.114507 -0.136212 -0.796598 -0.012989 0.019625 -0.015607 -0.049205 -0.003294 0.038609 0.000428 0.006462 0.008222 -0.098159 -0.134667 -0.081714 -0.053024 -0.027297 -0.020669 0.003341 0.021846 0.021132 -0.238366 -0.049884 0.279596 -0.011872 0.001317 0.041506 0.100233 0.064427 -0.277619 -0.023090 0.003870 0.004067 0.007526 0.008851 0.006896 0.005378 -0.021728 -0.038473 0.187140 0.089826 0.307159 0.127750 0.185170 -0.101882 0.076872 0.128924 -0.069825 0.010269 -0.005954 0.019576 -0.004792 0.000347 -0.026441 0.050794 -0.000257 -0.012898 0.030241 -0.002808 0.008765 -0.015543 0.026718 -0.008943 0.012257 0.004480 0.002013 0.158714 0.009388 -0.578498 0.023863 -0.012549 -0.651325 0.068216 0.048824 0.026536 -0.001567 -0.010261 0.006074 -0.008318 -0.009386 -0.017195 -0.001879 -0.005165 -0.000305 0.181302 -0.091815 -0.094336 0.005946 -0.009602 -0.000830 -0.041456 0.046559 -0.114973 -0.168293 -0.049390 -0.127284 0.034480 -0.013762 0.000827 -0.163035 -0.079321 0.112487 -0.009033 0.004996 0.011128 -0.005864 -0.027470 -0.003873 0.001561 0.036879 -0.007147 -0.082136 -0.166545 -0.135903 -0.595769 -0.162975 0.400194 -0.022407 0.004077 -0.027080 0.028137 0.015677 0.214466 -0.007661 0.004693 -0.016042 -0.031387 0.031290 -0.135508 0.014886 -0.008679 0.004902 0.008622 0.003008 -0.015511 -0.016361 -0.156716 -0.440427 -0.010967 -0.020357 -0.019560 0.034192 0.018833 0.011896 0.556054 -0.301955 0.975811 -0.016791 -0.011494 0.012359 0.100665 -0.119572 -0.369120 0.016954 -0.002810 0.016292 0.032667 0.071876 0.125088 -0.005697 0.009170 0.002899 0.010988 -0.014291 0.008320 -0.000105 0.038974 0.458945 0.027172 -0.012366 -0.007989 0.055804 0.015284 0.026704 -0.396867 0.110336 0.105416 -0.013150 0.003188 -0.008573 -0.217897 -0.018431 0.579675 -0.007346 -0.000857 0.012367 -0.237753 -0.027704 -0.151048 -0.009089 -0.004604 -0.012210 0.167426 -0.070035 -0.454265 0.095879 0.194856 -0.482824 0.023933 0.002347 0.010128 -0.022689 -0.004263 0.007344 0.319706 0.383965 1.274324 0.004612 0.003026 -0.000602 0.249787 0.178644 -0.334324 0.000855 0.001934 0.004541 0.269713 -0.071290 -0.240105 0.002814 0.009454 -0.001629 0.008306 -0.003236 -0.006979 -0.134206 -0.032408 0.023012 0.009049 -0.009798 -0.005593 0.007135 -0.009022 -0.009144 -0.048398 0.013291 0.314942 0.002057 0.007658 -0.004890 -0.186054 0.067653 0.262541 -0.117297 -0.135593 -0.797367 -0.013173 0.015838 -0.010828 -0.057430 0.007291 0.034773 -0.005249 0.004449 0.008044 -0.098231 -0.137473 -0.083440 -0.042532 -0.035835 -0.014776 0.002366 0.033834 0.028916 -0.238577 -0.049761 0.279570 -0.011615 0.002388 0.053373 0.100077 0.065783 -0.277335 -0.023350 0.005134 0.002552 0.008566 0.008572 0.007527 0.008776 -0.022409 -0.032675 0.187792 0.090012 0.306988 0.127795 0.186142 -0.103571 0.078142 0.128125 -0.069587 0.013336 -0.005626 0.019236 -0.005049 -0.001053 -0.024302 0.049826 0.000219 -0.011287 0.029095 -0.005319 0.008177 -0.010983 0.024121 -0.006774 0.010453 -0.000762 -0.001599 0.159092 0.008991 -0.578529 0.024130 -0.012857 -0.651743 0.070303 0.049053 0.025038 -0.002477 -0.010407 0.005845 -0.006738 -0.009082 -0.016914 -0.003186 -0.004741 -0.002874 0.181800 -0.092429 -0.094330 0.003681 -0.007607 -0.000867 -0.041391 0.046235 -0.115873 -0.168067 -0.049716 -0.126488 0.030517 -0.013515 -0.003937 -0.164454 -0.079708 0.111440 -0.008811 0.007504 0.009366 -0.004388 -0.036252 0.001353 0.003814 0.046753 -0.005584 -0.081189 -0.167310 -0.135641 -0.593754 -0.162966 0.399557 -0.019870 0.001440 -0.032508 0.027879 0.016518 0.214742 -0.009876 0.000419 -0.017875 -0.030788 0.030897 -0.135289 0.014001 -0.007837 0.000102 0.008880 -0.001398 -0.015358 -0.019668 -0.157326 -0.439968 -0.010265 -0.018982 -0.016827 0.034316 0.021841 0.012308 0.554441 -0.302294 0.974215 -0.015588 -0.012694 0.013798 0.101159 -0.120664 -0.369451 0.017234 -0.002968 0.013655 0.032513 0.071204 0.125607 -0.007491 0.008229 0.001756 0.008600 -0.011035 0.008860 0.003992 0.038520 0.458010 0.026606 -0.011431 -0.005533 0.051049 0.008682 0.017465 -0.396413 0.110081 0.105895 -0.013009 -0.002702 -0.007000 -0.217662 -0.019785 0.579992 -0.005624 0.004638 0.010887 -0.237373 -0.027857 -0.150644 -0.006781 -0.004819 -0.012021 0.115895 -0.047097 -0.281353 0.094799 0.194779 -0.482502 0.016634 0.002551 0.009383 -0.019383 -0.002467 0.008193 0.319341 0.384282 1.274778 0.006672 0.004770 -0.003503 0.250135 0.178729 -0.333701 0.002320 0.001852 0.005597 0.269717 -0.071293 -0.239725 0.003573 0.018401 -0.002515 0.012388 -0.007624 -0.006053 -0.132899 -0.032684 0.023439 0.011331 -0.008349 -0.007696 -0.000009 -0.005154 -0.007184 -0.047564 0.012857 0.306297 -0.001111 0.008074 -0.004697 -0.185948 0.067962 0.262682 -0.115893 -0.135790 -0.797095 -0.013716 0.017136 -0.011478 -0.046731 0.001548 0.035669 -0.003019 0.005093 0.006866 -0.098266 -0.136247 -0.082642 -0.044311 -0.029311 -0.017054 0.002614 0.026372 0.023345 -0.238383 -0.049785 0.279839 -0.011777 0.002221 0.047465 0.099493 0.065253 -0.277369 -0.019058 0.004958 0.001105 0.007810 0.008029 0.007853 0.006758 -0.021512 -0.033486 0.187206 0.089343 0.306911 0.128116 0.185488 -0.102561 0.077510 0.128408 -0.069445 0.011766 -0.005339 0.019634 -0.005160 -0.000030 -0.024332 0.047316 -0.000332 -0.012713 0.027845 -0.004106 0.008166 -0.013028 0.024535 -0.007317 0.010864 0.002148 0.000041 0.158796 0.009142 -0.578723 0.023978 -0.012701 -0.651060 0.069323 0.048910 0.025478 -0.001987 -0.010282 0.005589 -0.007536 -0.008640 -0.016060 -0.002399 -0.004162 -0.001586 0.181389 -0.091868 -0.094164 0.004062 -0.007759 -0.000665 -0.041813 0.046340 -0.115222 -0.168256 -0.049541 -0.126507 0.031163 -0.013254 -0.001910 -0.164032 -0.079443 0.111905 -0.008844 0.006120 0.009954 -0.004762 -0.030526 -0.001142 0.002512 0.042419 -0.005221 -0.081507 -0.166810 -0.135545 -0.592390 -0.163097 0.399436 -0.020754 0.001775 -0.030846 0.027699 0.018198 0.214573 -0.007597 0.002493 -0.018856 -0.030977 0.030988 -0.135237 0.014853 -0.009155 0.002746 0.008003 0.000050 -0.015203 -0.017626 -0.157055 -0.438372 -0.013144 -0.021405 -0.022024 0.034863 0.017390 0.013353 0.552566 -0.302030 0.973406 -0.015431 -0.012564 0.012795 0.100769 -0.120470 -0.370004 0.017570 -0.001775 0.015090 0.032282 0.071791 0.125484 -0.007542 0.006175 0.001901 0.009850 -0.015328 0.008150 0.001684 0.038646 0.457577 0.028888 -0.012041 -0.007118 0.055795 0.014051 0.025441 -0.396115 0.110126 0.105373 -0.011766 0.000798 -0.011662 -0.217739 -0.021031 0.579342 -0.006774 0.001029 0.010709 -0.237480 -0.027729 -0.150666 -0.008735 -0.003556 -0.012522 0.114838 -0.046795 -0.258255 0.095628 0.194859 -0.482283 0.022074 0.003595 0.008448 -0.023375 -0.002929 0.007647 0.318457 0.384092 1.276047 0.005196 0.004515 -0.005446 0.250009 0.178983 -0.334757 0.001774 0.002284 0.004689 0.269396 -0.071562 -0.239863 0.002247 0.014043 -0.003923 0.011398 -0.003486 -0.006044 -0.133996 -0.032482 0.023429 0.007117 -0.008419 -0.007440 0.005069 -0.007890 -0.005920 -0.043761 0.011175 0.284176 -0.008698 0.010067 -0.009453 -0.185570 0.068026 0.262358 -0.112547 -0.136543 -0.796889 -0.011389 0.017805 -0.014099 -0.013004 -0.011979 0.028984 0.004005 0.007812 0.006177 -0.097695 -0.132680 -0.079991 -0.046659 -0.012557 -0.024273 0.005330 0.006993 0.011829 -0.237958 -0.049532 0.279842 -0.010193 -0.000631 0.026991 0.100220 0.062644 -0.278092 -0.006595 0.003691 -0.001840 0.005549 0.004878 0.005868 0.001864 -0.019209 -0.036940 0.186735 0.090154 0.307501 0.127732 0.185695 -0.100742 0.076539 0.129163 -0.069191 0.007036 -0.004113 0.017349 -0.003306 0.002939 -0.024951 0.038042 -0.000371 -0.012519 0.029057 -0.000760 0.006510 -0.018577 0.025836 -0.010251 0.011576 0.008162 0.003955 0.158733 0.009490 -0.579207 0.024105 -0.012524 -0.651543 0.066953 0.048209 0.027766 -0.001322 -0.009017 0.006329 -0.009602 -0.008776 -0.014811 0.000174 -0.005426 0.001646 0.180989 -0.091950 -0.094138 0.005530 -0.009488 -0.000033 -0.041494 0.046494 -0.114197 -0.168319 -0.049305 -0.127378 0.036216 -0.013516 0.003155 -0.163012 -0.078908 0.112355 -0.007964 0.000090 0.011882 -0.005783 -0.018701 -0.006043 -0.002540 0.027864 -0.008144 -0.082172 -0.166911 -0.136431 -0.596673 -0.163426 0.401844 -0.018501 0.009271 -0.019411 0.028398 0.015157 0.214505 -0.008392 0.003933 -0.010815 -0.031603 0.030822 -0.135537 0.012801 -0.010555 0.005881 0.007360 0.005543 -0.010419 -0.016376 -0.156822 -0.440209 -0.011967 -0.015618 -0.017332 0.025631 0.012709 0.011138 0.557332 -0.302184 0.973956 -0.010908 -0.008513 0.014139 0.100568 -0.120146 -0.369161 0.015168 -0.004051 0.014742 0.032770 0.072867 0.125125 -0.005082 0.001846 0.000546 0.011353 -0.015631 0.007261 -0.000293 0.038972 0.458808 0.025827 -0.012524 -0.007753 0.043510 0.020884 0.033168 -0.396854 0.110208 0.106597 -0.013452 0.006339 -0.008050 -0.217714 -0.018158 0.579967 -0.005222 0.002040 0.010585 -0.237993 -0.027225 -0.151111 -0.007968 -0.004559 -0.010073 0.103070 -0.042339 -0.232833 0.096995 0.194911 -0.482614 0.025702 -0.000471 0.010107 -0.021942 -0.005247 0.008044 0.319153 0.383062 1.277736 0.004047 0.003387 -0.004328 0.249346 0.179093 -0.334666 -0.001729 0.001346 0.004989 0.269754 -0.072411 -0.240110 0.002592 0.008795 -0.000088 0.005985 -0.002285 -0.006333 -0.135315 -0.032383 0.023276 0.005284 -0.008939 -0.006790 0.007115 -0.011986 -0.008303 -0.035001 0.006480 0.240873 -0.027819 0.008807 -0.020780 -0.185493 0.067644 0.262430 -0.105647 -0.138238 -0.797037 -0.009565 0.019565 -0.011157 0.052880 -0.036424 0.012761 0.018734 0.012358 0.005842 -0.096728 -0.126671 -0.074432 -0.050221 0.016939 -0.035839 0.009702 -0.030079 -0.009533 -0.237725 -0.049367 0.280465 -0.008018 -0.004296 -0.014433 0.100456 0.057798 -0.279872 0.019670 0.002452 -0.008586 0.001353 -0.000382 0.003524 -0.006506 -0.015679 -0.043338 0.186917 0.089742 0.308014 0.128470 0.183689 -0.098418 0.074223 0.130153 -0.069198 -0.000868 -0.004019 0.014457 0.000392 0.006668 -0.025818 0.020388 -0.003152 -0.007392 0.029953 0.003325 0.001410 -0.026078 0.027151 -0.015568 0.013566 0.020420 0.009645 0.158610 0.009529 -0.579246 0.024430 -0.012472 -0.651267 0.062722 0.046988 0.029274 -0.000288 -0.007791 0.006905 -0.011641 -0.008209 -0.012222 0.004382 -0.006484 0.008902 0.180951 -0.092019 -0.093883 0.008191 -0.012761 0.001082 -0.041871 0.046416 -0.111915 -0.168396 -0.049330 -0.128455 0.045471 -0.014783 0.013401 -0.161070 -0.078485 0.113423 -0.006102 -0.010398 0.014339 -0.007096 0.005569 -0.015065 -0.013580 0.011367 -0.015439 -0.082882 -0.166767 -0.138464 -0.597544 -0.164628 0.404595 -0.012174 0.025170 0.006540 0.029094 0.013866 0.212553 -0.009948 -0.003150 0.007036 -0.031317 0.029668 -0.136029 0.006466 -0.016809 0.005426 0.005717 0.023262 0.001303 -0.016751 -0.156565 -0.437932 -0.001350 0.000066 -0.015481 -0.004154 0.004707 0.012368 0.559035 -0.302283 0.974468 0.000516 0.000811 0.018001 0.100753 -0.121486 -0.369056 0.007246 -0.010155 0.009697 0.032466 0.073130 0.125359 -0.000532 -0.010820 -0.004853 0.011643 -0.008554 0.009388 -0.000405 0.039144 0.458478 0.014225 -0.010425 -0.005958 0.013870 0.033981 0.039992 -0.397116 0.109781 0.109892 -0.022307 0.015090 0.002738 -0.217712 -0.018297 0.579863 0.000514 0.011077 0.012628 -0.237621 -0.026160 -0.151398 -0.001881 -0.006765 -0.003092 0.080650 -0.033390 -0.182529 0.095934 0.194624 -0.482454 0.021484 -0.007861 0.008664 -0.007828 -0.013059 0.012719 0.319610 0.380246 1.276492 0.002937 0.003350 0.001311 0.248304 0.180166 -0.335788 -0.007302 -0.002281 0.004601 0.269363 -0.073081 -0.240003 0.002348 0.000890 0.007553 -0.004967 -0.000650 -0.007575 -0.133936 -0.032591 0.023614 0.013136 -0.006819 -0.009365 0.010669 -0.018453 -0.013157 -0.017993 -0.002761 0.154330 -0.060799 0.008068 -0.038854 -0.185988 0.066758 0.262561 -0.092075 -0.141768 -0.797825 -0.004513 0.021398 -0.012598 0.197220 -0.087463 -0.012875 0.047298 0.020472 0.002124 -0.095162 -0.114920 -0.063544 -0.064017 0.077075 -0.053115 0.016599 -0.101300 -0.055958 -0.237792 -0.049076 0.281886 -0.002605 -0.012799 -0.092484 0.100803 0.048010 -0.284053 0.071398 0.000447 -0.022854 -0.005672 -0.012213 -0.000697 -0.023050 -0.008984 -0.055981 0.188216 0.088559 0.309129 0.130313 0.179740 -0.095178 0.069460 0.132149 -0.070568 -0.018509 -0.002648 0.008912 0.007719 0.015300 -0.027226 -0.016208 -0.009052 0.001459 0.031528 0.010525 -0.010227 -0.040836 0.030326 -0.026229 0.017623 0.045330 0.022241 0.158698 0.009537 -0.581034 0.025837 -0.012424 -0.650615 0.054559 0.044469 0.032385 0.003663 -0.005047 0.008328 -0.015983 -0.007260 -0.006909 0.013101 -0.009003 0.022957 0.181510 -0.091989 -0.093152 0.012133 -0.018917 0.003211 -0.042501 0.046094 -0.107270 -0.168682 -0.049357 -0.130538 0.061685 -0.017198 0.034837 -0.157058 -0.077714 0.114895 -0.002136 -0.033934 0.019947 -0.007057 0.058134 -0.033329 -0.036375 -0.029175 -0.028800 -0.084216 -0.166574 -0.143165 -0.599952 -0.166822 0.408840 -0.001280 0.054633 0.059572 0.031099 0.010689 0.208178 -0.012138 -0.012218 0.040431 -0.030523 0.027547 -0.137152 -0.006333 -0.030612 0.006545 0.005691 0.058986 0.025208 -0.019804 -0.156817 -0.434547 0.019337 0.030348 -0.012011 -0.057754 -0.010260 0.016195 0.563407 -0.302501 0.974726 0.023522 0.019851 0.024455 0.100592 -0.124728 -0.369370 -0.006228 -0.020716 0.001614 0.031739 0.077813 0.126622 0.009225 -0.036160 -0.014434 0.010544 0.005201 0.016595 0.001561 0.039387 0.457148 -0.009478 -0.005664 -0.001307 -0.047377 0.057704 0.059192 -0.398161 0.108403 0.116108 -0.036252 0.029691 0.014854 -0.217689 -0.018181 0.579278 0.010986 0.031897 0.013404 -0.236934 -0.024383 -0.151492 0.010503 -0.011412 0.010829 0.034334 -0.001825 -0.082506 0.088699 0.194477 -0.482326 0.016164 -0.024724 0.006461 0.012261 -0.029374 0.023161 0.321211 0.374850 1.280122 0.000847 0.004214 0.003107 0.246175 0.182763 -0.338576 -0.021860 -0.012919 0.006296 0.268650 -0.078847 -0.239359 0.007418 -0.012218 0.017205 -0.022017 -0.004498 -0.006442 -0.125897 -0.033152 0.024893 0.019382 -0.001584 -0.014835 0.006190 -0.029654 -0.020807 -0.023487 0.000132 0.187657 -0.048236 0.006719 -0.031555 -0.184564 0.066555 0.262428 -0.098024 -0.140458 -0.798260 -0.005876 0.019224 -0.010015 0.142603 -0.067992 -0.006644 0.036289 0.017154 0.004248 -0.095573 -0.120190 -0.068346 -0.058683 0.054381 -0.045520 0.013327 -0.072643 -0.036231 -0.236655 -0.048964 0.281200 -0.005109 -0.009305 -0.061069 0.100559 0.051822 -0.282059 0.052345 0.000312 -0.017378 -0.001977 -0.009475 0.001616 -0.016717 -0.012609 -0.050428 0.186594 0.089160 0.308287 0.130332 0.182730 -0.094506 0.072188 0.131178 -0.068729 -0.011065 -0.002195 0.011688 0.005262 0.013585 -0.026688 -0.001708 -0.006362 0.000095 0.030186 0.006802 -0.005679 -0.032447 0.028515 -0.020456 0.016264 0.034586 0.015771 0.158876 0.009426 -0.580168 0.025367 -0.012707 -0.650906 0.059095 0.045545 0.030059 0.002434 -0.006973 0.007375 -0.015875 -0.006589 -0.008584 0.009986 -0.007689 0.016955 0.180835 -0.092463 -0.093567 0.010421 -0.017617 0.002488 -0.042016 0.046048 -0.109536 -0.168118 -0.049500 -0.129565 0.054657 -0.017626 0.027501 -0.158972 -0.078269 0.114598 -0.003397 -0.026366 0.017303 -0.006907 0.036272 -0.025188 -0.027444 -0.010572 -0.025221 -0.083320 -0.167448 -0.140847 -0.596237 -0.166352 0.407456 -0.003199 0.044022 0.040596 0.030424 0.013569 0.209520 -0.011832 -0.012642 0.031255 -0.030916 0.027824 -0.136688 -0.001484 -0.024689 0.005402 0.006452 0.046505 0.018476 -0.016240 -0.156822 -0.434510 0.010490 0.021512 -0.014012 -0.041297 -0.003430 0.013810 0.559892 -0.303493 0.971132 0.015005 0.012502 0.024876 0.101097 -0.124092 -0.369714 -0.001950 -0.017385 0.002219 0.032730 0.075011 0.125182 0.004908 -0.031279 -0.013395 0.007673 -0.001008 0.014809 -0.000621 0.039069 0.456241 0.000820 -0.007438 -0.004147 -0.028819 0.042452 0.048827 -0.397420 0.109141 0.113314 -0.031580 0.024464 0.012563 -0.217318 -0.020146 0.578985 0.008999 0.031950 0.011776 -0.237429 -0.024823 -0.151979 0.006890 -0.010393 0.005736 0.051193 -0.012192 -0.122561 0.097894 0.194367 -0.482056 0.016213 -0.018702 0.006032 0.008941 -0.020362 0.021750 0.320567 0.377152 1.279353 0.001880 0.006002 0.002191 0.247361 0.182219 -0.337800 -0.017051 -0.009303 0.005099 0.269680 -0.076029 -0.240204 0.006219 -0.001543 0.012568 -0.017115 -0.004165 -0.006528 -0.134926 -0.033077 0.024134 0.016029 -0.001679 -0.014201 0.002629 -0.022850 -0.017630 0.014598 -0.018223 0.019288 -0.040564 0.006326 -0.029718 -0.184896 0.066450 0.262426 -0.098074 -0.140403 -0.799064 -0.005468 0.016209 -0.008947 0.113629 -0.055829 0.003918 0.028815 0.013030 -0.001607 -0.095711 -0.120042 -0.068329 -0.042555 0.041717 -0.038598 0.010377 -0.061842 -0.034293 -0.236909 -0.048425 0.281153 -0.004322 -0.009641 -0.058559 0.100453 0.052113 -0.282040 0.053582 0.005282 -0.018220 -0.002063 -0.010390 0.000977 -0.015311 -0.011138 -0.042818 0.186488 0.089958 0.308358 0.129962 0.183985 -0.095853 0.072394 0.131192 -0.067958 -0.012466 0.000270 0.009460 0.005258 0.011987 -0.023132 -0.002610 -0.006431 -0.000141 0.032152 0.005996 -0.006107 -0.031173 0.026349 -0.019544 0.013502 0.031929 0.014575 0.158746 0.009501 -0.580725 0.025388 -0.012457 -0.651468 0.058629 0.045613 0.030655 0.001444 -0.007345 0.007253 -0.015567 -0.004936 -0.006756 0.008235 -0.005643 0.015508 0.180589 -0.092435 -0.093453 0.008572 -0.014769 0.003778 -0.042406 0.046256 -0.109337 -0.168437 -0.049353 -0.129485 0.050114 -0.015076 0.026992 -0.159788 -0.078312 0.113637 -0.003150 -0.022634 0.014800 -0.005228 0.030988 -0.024422 -0.024985 -0.008076 -0.023304 -0.083606 -0.167682 -0.140014 -0.598318 -0.166293 0.406798 -0.002438 0.041107 0.035567 0.030107 0.012091 0.209745 -0.010321 -0.009837 0.026976 -0.031148 0.027516 -0.136862 -0.000571 -0.022763 0.006168 0.004568 0.040810 0.016077 -0.019150 -0.156867 -0.435334 0.004940 0.016215 -0.015561 -0.026189 -0.008050 0.011626 0.561727 -0.303515 0.969267 0.013981 0.009641 0.023743 0.100821 -0.124046 -0.370406 0.000232 -0.015889 0.004045 0.032272 0.073383 0.125306 0.002962 -0.026814 -0.012601 0.007974 -0.005844 0.013629 0.001686 0.039237 0.456202 0.004357 -0.007570 -0.005653 -0.005747 0.042458 0.054291 -0.397443 0.109221 0.112119 -0.027861 0.022456 0.010694 -0.217659 -0.018449 0.578429 0.005612 0.025039 0.011351 -0.237676 -0.024249 -0.151947 0.005284 -0.008538 0.004929 0.011720 0.002831 0.047391 0.098443 0.194630 -0.482336 0.016523 -0.015137 0.004387 -0.000336 -0.019471 0.018829 0.319070 0.377740 1.279367 0.001768 0.005586 -0.001598 0.247244 0.182193 -0.338767 -0.014686 -0.006728 0.005479 0.269254 -0.073966 -0.240267 0.004547 -0.001015 0.010845 -0.013232 -0.000202 -0.005745 -0.136169 -0.032851 0.024100 0.008947 -0.000688 -0.013514 0.007268 -0.027441 -0.015657 0.068998 -0.044511 -0.211396 -0.030726 0.008281 -0.028256 -0.184783 0.066618 0.262564 -0.097118 -0.140367 -0.800485 -0.004491 0.012258 -0.008378 0.078699 -0.043130 0.007727 0.021086 0.007667 -0.007115 -0.095774 -0.120372 -0.068567 -0.022988 0.027013 -0.030548 0.008653 -0.051417 -0.032598 -0.236815 -0.048568 0.281114 -0.002821 -0.010094 -0.053819 0.100124 0.052714 -0.281733 0.055376 0.012769 -0.018942 -0.001802 -0.011362 0.001378 -0.012198 -0.010049 -0.031909 0.186453 0.088917 0.308037 0.130398 0.183343 -0.097226 0.072466 0.130922 -0.066539 -0.013836 0.002569 0.007407 0.004875 0.007802 -0.018351 -0.002889 -0.006037 0.002283 0.033581 0.004304 -0.005538 -0.028672 0.024423 -0.019268 0.010113 0.028322 0.012261 0.158681 0.009481 -0.581396 0.025412 -0.012428 -0.651058 0.058086 0.045862 0.030362 0.000465 -0.008752 0.007056 -0.013497 -0.002270 -0.005439 0.006066 -0.002528 0.013892 0.180464 -0.091852 -0.093477 0.006679 -0.010700 0.005354 -0.042785 0.046301 -0.109205 -0.168532 -0.049429 -0.129442 0.043806 -0.011489 0.025085 -0.160722 -0.078889 0.111792 -0.001995 -0.016501 0.011482 -0.002221 0.021612 -0.023587 -0.020143 -0.003283 -0.020906 -0.083374 -0.167561 -0.138552 -0.597540 -0.166932 0.406109 0.000419 0.036314 0.030666 0.030288 0.012469 0.210942 -0.009192 -0.012164 0.023514 -0.031086 0.028259 -0.136671 -0.000359 -0.019672 0.005319 0.002482 0.033347 0.013769 -0.016926 -0.156830 -0.433302 0.008028 0.014248 -0.016298 -0.009218 -0.012479 0.009850 0.560993 -0.303960 0.971231 0.013569 0.006744 0.019000 0.100809 -0.124079 -0.369887 0.000160 -0.015041 0.001929 0.031886 0.075127 0.125545 0.000364 -0.019954 -0.013434 0.006875 -0.003661 0.011912 -0.000833 0.039233 0.456511 0.000092 -0.006991 -0.003616 0.010294 0.033969 0.050691 -0.396339 0.109315 0.112351 -0.024723 0.019479 0.011888 -0.217621 -0.019227 0.578337 0.004310 0.023383 0.008212 -0.237455 -0.024895 -0.151966 0.006431 -0.007338 0.005717 -0.053058 0.030248 0.282848 0.097082 0.194669 -0.482158 0.010055 -0.012792 0.001637 -0.003657 -0.014712 0.015015 0.316905 0.378449 1.279064 0.002776 0.006570 -0.003673 0.246896 0.181699 -0.339083 -0.013033 -0.005016 0.004591 0.268883 -0.075712 -0.240180 0.002866 -0.001585 0.009548 -0.010432 -0.001540 -0.004638 -0.134834 -0.032808 0.024251 0.004255 0.001913 -0.013462 0.007288 -0.027638 -0.016141 0.064564 -0.043245 -0.190888 -0.019029 0.008355 -0.022528 -0.185298 0.066700 0.262361 -0.097217 -0.140243 -0.802584 -0.004210 0.008890 -0.008003 0.041877 -0.028279 0.017952 0.013695 0.003667 -0.011638 -0.096041 -0.121087 -0.069793 -0.009745 0.015002 -0.021545 0.006530 -0.038147 -0.028114 -0.237363 -0.048526 0.280782 -0.002533 -0.009662 -0.046758 0.099667 0.053214 -0.282631 0.045154 0.017357 -0.013986 -0.000839 -0.011150 0.001178 -0.008747 -0.010076 -0.022856 0.186894 0.088140 0.307329 0.130639 0.182993 -0.099451 0.071872 0.130682 -0.066568 -0.013012 0.003783 0.005351 0.004611 0.003938 -0.014736 -0.001587 -0.005954 0.003936 0.036432 0.001615 -0.005096 -0.025626 0.021449 -0.018909 0.007846 0.024951 0.008771 0.158618 0.009451 -0.582104 0.025531 -0.012312 -0.651357 0.058068 0.046127 0.028896 -0.000422 -0.010125 0.006193 -0.011340 -0.000274 -0.004681 0.003302 -0.000823 0.011326 0.180640 -0.091438 -0.093804 0.004442 -0.007995 0.005610 -0.043257 0.046383 -0.109683 -0.168674 -0.049457 -0.129796 0.040006 -0.009281 0.022325 -0.161541 -0.079174 0.110025 -0.001286 -0.012111 0.008011 0.000097 0.012524 -0.022618 -0.016118 0.003898 -0.017935 -0.083234 -0.167563 -0.138535 -0.597643 -0.167213 0.404804 0.001778 0.031512 0.026778 0.029971 0.012839 0.210888 -0.010102 -0.011740 0.021222 -0.031188 0.028703 -0.136575 -0.000143 -0.020164 0.004299 0.001324 0.033829 0.011249 -0.017605 -0.156904 -0.431806 0.008749 0.013110 -0.016477 -0.000928 -0.015954 0.009237 0.560907 -0.304432 0.970295 0.012986 0.004353 0.016437 0.100779 -0.124043 -0.370691 0.000369 -0.013368 -0.000765 0.031733 0.076327 0.125782 -0.001801 -0.014107 -0.015322 0.005332 -0.002964 0.011043 -0.000433 0.039245 0.456388 -0.003099 -0.006376 -0.002839 0.029959 0.025960 0.051022 -0.395861 0.109351 0.113737 -0.021902 0.017063 0.008191 -0.217796 -0.019801 0.577520 0.004746 0.022298 0.005257 -0.237578 -0.025198 -0.151893 0.006920 -0.005071 0.005487 -0.038120 0.021462 0.274450 0.094110 0.194842 -0.482262 0.003756 -0.012295 -0.001999 -0.005493 -0.012846 0.013330 0.315559 0.379366 1.276325 0.003721 0.006908 -0.005912 0.246810 0.181314 -0.339974 -0.013066 -0.005698 0.003106 0.268686 -0.076855 -0.240013 0.001704 0.000292 0.007730 -0.008982 -0.000751 -0.004168 -0.132202 -0.032715 0.024308 0.005182 0.003948 -0.015136 0.005495 -0.026424 -0.016506 0.051192 -0.038602 -0.128672 0.002034 0.007481 -0.012400 -0.184940 0.066644 0.262293 -0.097939 -0.140087 -0.806011 -0.002821 -0.001992 -0.006134 -0.059191 0.018982 0.041469 -0.007902 -0.008554 -0.023945 -0.095786 -0.123293 -0.072289 0.036676 -0.024604 0.005022 0.002537 -0.000143 -0.014264 -0.237140 -0.048489 0.280203 0.000927 -0.010510 -0.025688 0.100436 0.055147 -0.281837 0.010574 0.027741 0.004313 0.000090 -0.012528 0.000252 0.000150 -0.007588 0.004643 0.186970 0.088505 0.307183 0.130273 0.185066 -0.103087 0.073569 0.129658 -0.063568 -0.011877 0.009474 -0.000219 0.004596 -0.005469 -0.002174 0.002506 -0.005261 0.010181 0.044760 -0.005466 -0.003333 -0.016197 0.014410 -0.015006 0.000817 0.011855 0.001708 0.159000 0.009218 -0.583425 0.025877 -0.012393 -0.651980 0.058943 0.046517 0.027746 -0.003421 -0.013693 0.006705 -0.007143 0.005294 -0.000786 -0.003173 0.004570 0.006053 0.180706 -0.091356 -0.093919 0.000320 0.000191 0.008980 -0.043128 0.046464 -0.110469 -0.168528 -0.049804 -0.129780 0.024260 -0.002078 0.015816 -0.163944 -0.080544 0.106423 0.002027 0.002357 -0.001704 0.007796 -0.015184 -0.018126 -0.005117 0.021557 -0.007236 -0.082640 -0.168529 -0.135586 -0.602228 -0.168652 0.402285 0.009857 0.013142 0.007529 0.030180 0.007872 0.214528 -0.007249 -0.009913 0.007586 -0.031120 0.029018 -0.136101 0.001926 -0.007209 0.002069 -0.001922 0.015624 0.001687 -0.017984 -0.157355 -0.432276 0.007630 0.004883 -0.005977 0.030423 -0.013546 -0.000392 0.566712 -0.306015 0.969221 0.008339 -0.005995 0.009460 0.101614 -0.123907 -0.370237 0.001538 -0.006697 -0.006578 0.031765 0.075290 0.125964 -0.009850 0.001731 -0.013321 0.000477 0.001865 0.004729 -0.000242 0.039107 0.458623 -0.009750 -0.004448 -0.001156 0.069476 -0.001539 0.030842 -0.393242 0.109827 0.113033 -0.009983 0.006598 0.009854 -0.217577 -0.015756 0.577142 0.001127 0.012335 0.000146 -0.237179 -0.025615 -0.151874 0.007316 -0.001170 0.006755 -0.006251 -0.000641 0.185805 0.095999 0.194749 -0.482000 -0.013292 -0.000025 -0.008344 -0.012229 -0.002255 -0.000904 0.311033 0.381232 1.275798 0.006042 0.009538 -0.013119 0.246871 0.179678 -0.340620 -0.004263 -0.002595 0.003723 0.268593 -0.075872 -0.239906 -0.002035 0.010668 0.002061 0.001000 -0.002463 -0.000680 -0.134017 -0.032693 0.024487 -0.003334 0.009125 -0.015218 -0.000319 -0.022881 -0.011975 0.023299 -0.029085 -0.001857 0.052302 0.004624 0.008151 -0.184776 0.066083 0.262160 -0.100094 -0.139610 -0.814432 -0.001217 -0.024143 0.002240 -0.257985 0.114504 0.087279 -0.051168 -0.037200 -0.047774 -0.095513 -0.128049 -0.076424 0.127581 -0.100089 0.056252 -0.013052 0.083841 0.014145 -0.237173 -0.047814 0.279146 0.005560 -0.009391 0.015774 0.100236 0.059102 -0.281142 -0.056877 0.049783 0.038612 0.004375 -0.016203 -0.000087 0.017084 -0.002546 0.059145 0.187135 0.087955 0.305820 0.130637 0.188673 -0.110862 0.075695 0.127821 -0.058776 -0.009735 0.020024 -0.009700 0.003315 -0.022882 0.020572 0.009953 -0.004724 0.021709 0.061040 -0.020223 -0.000931 0.002147 0.000163 -0.008175 -0.012620 -0.012911 -0.012610 0.159379 0.008906 -0.586828 0.026650 -0.012407 -0.652470 0.061055 0.047250 0.024498 -0.009194 -0.019810 0.006773 0.000407 0.016406 0.007857 -0.015566 0.015023 -0.006275 0.180581 -0.090960 -0.093849 -0.008276 0.016318 0.013247 -0.043957 0.046605 -0.111722 -0.168523 -0.050258 -0.129295 -0.002881 0.012818 0.004221 -0.169442 -0.082787 0.099835 0.007835 0.029208 -0.021594 0.021805 -0.070247 -0.009972 0.017809 0.058885 0.005958 -0.081843 -0.170557 -0.129678 -0.602550 -0.171099 0.396734 0.025914 -0.028909 -0.029532 0.029562 0.004517 0.221659 -0.004044 -0.009303 -0.020137 -0.030623 0.029936 -0.135203 0.004286 0.014460 -0.001705 -0.007995 -0.017511 -0.019686 -0.019973 -0.158508 -0.427152 0.002342 -0.013460 0.010004 0.100009 -0.015131 -0.017718 0.569162 -0.309546 0.963248 -0.003297 -0.026451 -0.002786 0.102304 -0.124681 -0.370099 0.006178 -0.002301 -0.016969 0.030757 0.076546 0.127326 -0.026816 0.035001 -0.011920 -0.005334 0.002961 -0.003874 0.001252 0.038881 0.458192 -0.015327 0.000478 0.005507 0.141913 -0.053841 0.000915 -0.388232 0.110991 0.113980 0.012837 -0.015139 0.008219 -0.217576 -0.014277 0.575902 -0.003485 -0.004770 -0.014578 -0.236694 -0.026588 -0.151248 0.009676 0.009453 0.008797 0.060006 -0.037607 0.014389 0.096299 0.195302 -0.481675 -0.049686 0.020103 -0.021873 -0.021426 0.022225 -0.026867 0.302043 0.385967 1.275136 0.010356 0.013407 -0.024820 0.247080 0.177726 -0.342398 0.009409 0.007708 0.005457 0.267826 -0.077332 -0.239417 -0.009942 0.032111 -0.009447 0.025627 -0.002301 0.007238 -0.134782 -0.032576 0.025582 -0.020993 0.021350 -0.012796 -0.012055 -0.019888 -0.005322 0.042312 -0.035893 -0.083900 0.015772 0.007710 -0.008342 -0.183970 0.065813 0.262572 -0.099136 -0.140136 -0.808777 -0.002181 -0.010355 -0.004208 -0.122442 0.054480 0.051383 -0.021357 -0.019402 -0.031104 -0.095332 -0.125011 -0.072851 0.065737 -0.049378 0.020695 -0.002070 0.030784 -0.004768 -0.236298 -0.048087 0.280142 0.002184 -0.010546 -0.011814 0.100627 0.056242 -0.280517 -0.013382 0.034598 0.016218 0.001247 -0.014364 0.000555 0.005569 -0.005537 0.023434 0.186095 0.088856 0.307263 0.130580 0.187400 -0.103539 0.075186 0.128869 -0.060476 -0.010966 0.013713 -0.003415 0.004092 -0.010113 0.005904 0.004057 -0.005903 0.015096 0.049432 -0.009649 -0.002671 -0.009787 0.009298 -0.011442 -0.002500 0.002595 -0.002244 0.159387 0.008923 -0.583173 0.026302 -0.012692 -0.651672 0.060466 0.046237 0.026813 -0.005134 -0.014867 0.007040 -0.005584 0.007993 0.003795 -0.006132 0.007663 0.002129 0.180279 -0.092015 -0.093452 -0.001710 0.003609 0.011083 -0.043045 0.046245 -0.110425 -0.168154 -0.050141 -0.129014 0.015568 0.002462 0.012847 -0.166000 -0.081243 0.105390 0.004405 0.009568 -0.007502 0.012517 -0.033576 -0.015249 0.002847 0.035768 -0.002605 -0.082331 -0.170078 -0.132967 -0.601835 -0.169475 0.399344 0.016605 -0.004341 -0.007414 0.030570 0.005753 0.217058 -0.004428 -0.009287 -0.004764 -0.031406 0.028506 -0.135948 0.001997 0.005651 -0.001944 -0.003249 0.002152 -0.004039 -0.017243 -0.157846 -0.430709 0.004495 -0.003681 0.005068 0.053294 -0.010715 -0.006784 0.567909 -0.307495 0.965657 0.004114 -0.013225 0.005983 0.101676 -0.124762 -0.370105 0.002692 -0.003433 -0.010729 0.032557 0.073835 0.125762 -0.016155 0.013675 -0.012634 -0.003783 0.004529 0.002043 -0.000629 0.038945 0.457624 -0.012329 -0.000790 0.002874 0.086636 -0.025398 0.014715 -0.391899 0.109947 0.111391 0.001604 -0.003798 0.012800 -0.217165 -0.014899 0.576682 0.000464 0.004500 -0.007144 -0.237541 -0.025654 -0.151924 0.006694 0.001533 0.006459 0.013684 -0.012854 0.118738 0.101554 0.194511 -0.481910 -0.026547 0.009398 -0.014503 -0.011624 0.010012 -0.011372 0.308789 0.382571 1.275306 0.008071 0.009906 -0.016296 0.247085 0.179050 -0.341049 0.001769 -0.000093 0.004817 0.269350 -0.075083 -0.239708 -0.004760 0.020633 -0.003384 0.012832 -0.004346 0.005842 -0.139513 -0.033011 0.025021 -0.011636 0.013377 -0.013874 -0.009847 -0.018135 -0.003183 0.012457 -0.020754 0.040250 0.014174 0.007410 -0.005873 -0.184637 0.066100 0.262171 -0.099395 -0.140000 -0.809980 -0.003691 -0.008195 -0.001666 -0.090815 0.048052 0.050011 -0.020986 -0.016864 -0.027316 -0.095329 -0.125835 -0.074520 0.052379 -0.038253 0.018713 -0.003762 0.030244 -0.000492 -0.236923 -0.048176 0.279689 0.000881 -0.008401 -0.007761 0.100103 0.057004 -0.280933 -0.018351 0.031577 0.019163 0.000932 -0.010835 0.001068 0.006002 -0.004318 0.021043 0.186788 0.088264 0.306464 0.130463 0.186404 -0.104780 0.074812 0.128809 -0.062575 -0.007935 0.010192 -0.003663 0.002853 -0.010959 0.005250 0.005026 -0.005454 0.012689 0.049175 -0.010303 -0.003293 -0.012870 0.007974 -0.011981 -0.002148 0.000702 -0.003630 0.159198 0.009006 -0.583981 0.026267 -0.012569 -0.652559 0.060479 0.046411 0.025279 -0.003715 -0.014454 0.005991 -0.003295 0.007311 0.003359 -0.006825 0.007407 0.002901 0.180546 -0.091487 -0.094051 -0.000457 0.003473 0.009229 -0.043356 0.046356 -0.111288 -0.168354 -0.050092 -0.129516 0.014476 0.003598 0.011097 -0.165761 -0.081165 0.105728 0.003494 0.009889 -0.007062 0.010770 -0.028999 -0.013871 0.001985 0.031519 -0.003041 -0.082362 -0.169587 -0.134447 -0.599257 -0.169467 0.399126 0.015957 -0.003335 -0.007404 0.029488 0.008795 0.215879 -0.005083 -0.010452 -0.004083 -0.030956 0.028736 -0.135884 0.001676 0.001781 -0.000612 -0.005497 0.006309 -0.005309 -0.019598 -0.157839 -0.428902 0.003338 -0.002531 -0.000703 0.044419 -0.011836 -0.002657 0.564977 -0.307247 0.964890 0.004461 -0.012645 0.006491 0.102005 -0.125043 -0.370918 0.003128 -0.006241 -0.010744 0.031729 0.073731 0.125988 -0.015072 0.009858 -0.014120 -0.001883 0.001776 0.001770 0.001694 0.038938 0.456771 -0.011591 -0.001899 0.002294 0.081745 -0.018218 0.024792 -0.391858 0.110046 0.112889 -0.000336 -0.001388 0.008810 -0.217544 -0.017741 0.576205 0.000269 0.006607 -0.005827 -0.237111 -0.025670 -0.151862 0.007684 0.003017 0.007002 0.048719 -0.026214 0.006383 0.098322 0.194781 -0.481791 -0.024380 0.006846 -0.013863 -0.015547 0.006181 -0.010507 0.309205 0.382024 1.274624 0.008349 0.009293 -0.017488 0.247253 0.179635 -0.341084 -0.000095 0.000858 0.003749 0.268617 -0.074765 -0.239880 -0.003520 0.016416 -0.002370 0.010708 -0.001296 0.003586 -0.136304 -0.032811 0.024754 -0.007287 0.012211 -0.014824 -0.003114 -0.022199 -0.006985 -0.038764 0.004967 0.253119 0.011630 0.006418 -0.002356 -0.184993 0.066142 0.261680 -0.101218 -0.139924 -0.810272 -0.003809 -0.003109 0.000585 -0.035843 0.037252 0.045110 -0.018994 -0.010529 -0.020497 -0.095099 -0.126600 -0.076069 0.030035 -0.020857 0.014628 -0.005459 0.025944 0.007685 -0.237239 -0.048019 0.279140 -0.000356 -0.006381 -0.002651 0.100579 0.057843 -0.280212 -0.027038 0.026197 0.023640 -0.000403 -0.006653 -0.000269 0.005894 -0.002876 0.018266 0.186982 0.089098 0.306570 0.129151 0.186996 -0.104894 0.075261 0.128673 -0.064877 -0.003462 0.006110 -0.005077 0.002088 -0.010455 0.004182 0.006156 -0.005323 0.010080 0.049497 -0.013605 -0.004759 -0.015385 0.005925 -0.012015 -0.001134 -0.002382 -0.004225 0.159096 0.009100 -0.584709 0.026431 -0.012466 -0.653096 0.061507 0.046214 0.024501 -0.002300 -0.013321 0.006026 -0.002174 0.006096 0.004324 -0.006767 0.006249 0.004149 0.180723 -0.091701 -0.094284 0.001303 0.002512 0.006112 -0.043251 0.046438 -0.112028 -0.168545 -0.050038 -0.129744 0.014004 0.003704 0.010139 -0.165229 -0.080961 0.107140 0.002875 0.009088 -0.005460 0.008366 -0.021889 -0.010961 0.001031 0.026151 -0.004148 -0.082560 -0.169911 -0.135803 -0.602789 -0.169502 0.397873 0.014272 -0.005998 -0.011842 0.028711 0.007582 0.215295 -0.004664 -0.007123 -0.007281 -0.031203 0.028807 -0.136212 0.000446 0.006087 -0.001482 -0.009838 0.006704 -0.006239 -0.021662 -0.157990 -0.431321 0.000059 -0.003571 0.005505 0.026639 -0.008473 -0.000415 0.568905 -0.306783 0.961956 0.003708 -0.011426 0.005863 0.102228 -0.124243 -0.371515 0.003739 -0.006647 -0.012462 0.031701 0.074737 0.126012 -0.011607 0.005228 -0.010153 0.002232 0.001308 0.001093 0.003488 0.038971 0.457453 -0.009433 -0.000842 0.001485 0.055211 -0.006866 0.026779 -0.392519 0.110364 0.111422 -0.000437 -0.002301 0.008960 -0.217249 -0.016458 0.575500 0.000206 0.003783 -0.004809 -0.237271 -0.025656 -0.152123 0.005698 0.001292 0.006000 0.102881 -0.051283 -0.205445 0.098047 0.194915 -0.482228 -0.017063 0.005602 -0.012084 -0.013296 0.003781 -0.010909 0.310736 0.380315 1.275583 0.008721 0.006306 -0.017369 0.247014 0.178897 -0.340457 0.000300 0.000187 0.003463 0.268538 -0.075743 -0.240128 -0.000379 0.010350 -0.001724 0.012770 0.001703 0.003039 -0.136138 -0.032687 0.024425 -0.002937 0.009400 -0.012260 -0.000352 -0.022842 -0.007916 -0.037575 0.005515 0.249166 0.008988 0.006746 -0.001762 -0.185431 0.066209 0.261947 -0.101418 -0.139816 -0.810563 -0.003915 -0.001912 0.000699 -0.007454 0.027258 0.036543 -0.016449 -0.008808 -0.017387 -0.094851 -0.126801 -0.076468 0.018129 -0.010784 0.011411 -0.005416 0.024181 0.009148 -0.237710 -0.048032 0.279403 -0.001425 -0.005130 -0.000047 0.100244 0.058262 -0.279861 -0.024293 0.024197 0.022430 -0.000637 -0.004189 0.000183 0.005573 -0.002112 0.016001 0.187635 0.088356 0.306506 0.129255 0.186290 -0.105346 0.075015 0.128660 -0.066291 -0.001558 0.003710 -0.004221 0.001333 -0.010142 0.003733 0.006556 -0.005013 0.009287 0.047431 -0.014556 -0.005462 -0.015804 0.005033 -0.011301 -0.000492 -0.003501 -0.003956 0.158991 0.009172 -0.584682 0.026456 -0.012420 -0.652723 0.061862 0.046225 0.023485 -0.001157 -0.012041 0.005488 -0.000612 0.005047 0.004673 -0.006504 0.005721 0.004926 0.181074 -0.091621 -0.094124 0.002544 0.001464 0.005565 -0.043245 0.046490 -0.112007 -0.168515 -0.050026 -0.129579 0.014924 0.002919 0.010068 -0.165045 -0.080864 0.107681 0.002430 0.008221 -0.003866 0.007247 -0.018561 -0.010044 0.001553 0.024488 -0.004486 -0.082676 -0.170017 -0.136574 -0.599100 -0.169562 0.397345 0.011433 -0.006640 -0.013351 0.027546 0.011454 0.214750 -0.004153 -0.007003 -0.009292 -0.030607 0.029525 -0.135437 -0.000389 0.006909 -0.001901 -0.011750 0.007104 -0.005908 -0.023030 -0.157845 -0.427953 0.000670 -0.003476 0.003749 0.012215 -0.005387 0.001728 0.565189 -0.306216 0.962245 0.002929 -0.009560 0.003279 0.102856 -0.124489 -0.371256 0.003257 -0.005225 -0.012334 0.031237 0.077669 0.126790 -0.008496 0.005996 -0.006913 0.003775 0.001437 0.000269 0.004967 0.038971 0.456525 -0.009530 0.000195 0.003967 0.041035 -0.001896 0.027456 -0.392315 0.110526 0.112254 -0.000235 -0.002158 0.006418 -0.217191 -0.020116 0.575474 0.000321 0.002861 -0.003846 -0.236527 -0.026321 -0.151415 0.003684 0.001350 0.004572 0.100775 -0.050685 -0.209602 0.093874 0.194959 -0.481516 -0.015792 0.004193 -0.010183 -0.010675 0.002506 -0.010135 0.311115 0.379406 1.275552 0.008188 0.004134 -0.013181 0.247171 0.179189 -0.339595 -0.000038 -0.000415 0.002630 0.267991 -0.078644 -0.239277 0.001269 0.003556 -0.001213 0.011153 0.002659 0.002803 -0.131746 -0.032592 0.024745 0.003688 0.006719 -0.009396 0.000175 -0.020910 -0.006439 -0.029427 0.004859 0.217589 0.001240 0.009664 -0.002600 -0.185814 0.066777 0.261978 -0.102719 -0.139795 -0.809886 -0.006251 -0.000506 0.000557 0.074947 -0.003215 0.014973 -0.011038 -0.006391 -0.012208 -0.094768 -0.127792 -0.077652 -0.013094 0.013831 0.004207 -0.004137 0.020957 0.012776 -0.238080 -0.048346 0.279330 -0.001997 -0.001175 0.005988 0.100864 0.059444 -0.278062 -0.015731 0.018407 0.018148 -0.002263 0.001908 -0.000091 0.004765 0.000070 0.007902 0.187631 0.088213 0.307294 0.127504 0.184495 -0.104291 0.074969 0.128656 -0.069034 0.003832 -0.003574 -0.004420 -0.001299 -0.010979 0.001209 0.007435 -0.005067 0.005791 0.042122 -0.012919 -0.006728 -0.022589 0.003540 -0.013427 0.002699 -0.005666 -0.003627 0.158821 0.009341 -0.584392 0.026449 -0.012283 -0.652530 0.062258 0.045783 0.023246 0.001467 -0.010669 0.005113 0.002768 0.001754 0.005246 -0.006169 0.004335 0.009190 0.181139 -0.091197 -0.093938 0.005986 -0.001263 0.002132 -0.043077 0.046609 -0.112426 -0.168783 -0.049949 -0.129299 0.017191 0.001701 0.008223 -0.163792 -0.080322 0.111364 0.000980 0.006608 0.000298 0.003455 -0.005138 -0.007465 -0.000203 0.018885 -0.005679 -0.082901 -0.169289 -0.137890 -0.604850 -0.169332 0.396966 0.009407 -0.005133 -0.015915 0.026781 0.009616 0.214072 -0.004344 -0.005355 -0.009823 -0.031404 0.030066 -0.135745 -0.002151 0.009570 -0.001150 -0.015749 0.011592 -0.003403 -0.020123 -0.157771 -0.431246 0.004145 -0.003184 0.009690 -0.008273 -0.004712 0.004155 0.570379 -0.305017 0.964998 0.002758 -0.007484 0.000914 0.102848 -0.123150 -0.371112 0.001823 -0.006596 -0.012229 0.031712 0.078124 0.126338 -0.005398 0.000104 -0.003885 0.007542 -0.000525 -0.000716 0.001446 0.039160 0.458996 -0.015349 0.000752 0.002505 0.005285 0.008047 0.035096 -0.393956 0.110576 0.111352 -0.002345 -0.000737 0.006286 -0.216978 -0.018101 0.575780 0.001198 0.001539 -0.001136 -0.237307 -0.026625 -0.151619 0.001202 -0.000366 0.005893 0.089097 -0.040738 -0.171534 0.093503 0.195114 -0.482073 -0.007716 0.001379 -0.007367 -0.008793 -0.000969 -0.008220 0.313909 0.377231 1.276508 0.009298 0.001316 -0.012788 0.246834 0.178285 -0.337539 -0.003610 -0.000851 0.000484 0.268461 -0.078941 -0.239752 0.005236 -0.004475 0.001183 0.006908 0.007515 0.000640 -0.131406 -0.032517 0.024462 0.009528 0.003037 -0.007952 0.006067 -0.020749 -0.008023 -0.013727 0.003547 0.154386 -0.015922 0.013430 0.000182 -0.185898 0.067215 0.262022 -0.104964 -0.139645 -0.810786 -0.008971 0.004541 -0.001069 0.229227 -0.058060 -0.024346 0.001711 0.002615 0.002218 -0.093906 -0.130045 -0.080950 -0.079056 0.064673 -0.011533 -0.004126 0.013664 0.021183 -0.238235 -0.048848 0.279221 -0.005271 0.006358 0.018350 0.100941 0.061382 -0.275162 0.001161 0.008023 0.008864 -0.005647 0.015636 0.000442 0.002337 0.004035 -0.007113 0.187505 0.088081 0.307601 0.125701 0.183104 -0.102692 0.075715 0.128346 -0.074021 0.013760 -0.016311 -0.003187 -0.005572 -0.008679 -0.003022 0.010171 -0.004650 -0.000455 0.031986 -0.014607 -0.008566 -0.031374 0.000374 -0.013643 0.006949 -0.010978 -0.002979 0.158388 0.009416 -0.583494 0.026122 -0.012344 -0.653055 0.063740 0.045191 0.019847 0.006862 -0.006613 0.003664 0.007671 -0.003408 0.006676 -0.004855 0.001840 0.015152 0.181155 -0.091223 -0.094002 0.012647 -0.006485 -0.004141 -0.042887 0.046596 -0.113481 -0.168861 -0.050055 -0.129145 0.022046 -0.001450 0.006797 -0.162101 -0.079845 0.116037 -0.001467 0.002020 0.008264 -0.005077 0.019100 -0.001953 -0.003494 0.008137 -0.007494 -0.083162 -0.169384 -0.141194 -0.602741 -0.169133 0.394413 0.002157 -0.006900 -0.021121 0.023333 0.014222 0.210529 0.000603 -0.002742 -0.014461 -0.031638 0.030137 -0.134898 -0.005189 0.013497 -0.003252 -0.026272 0.019205 0.000837 -0.020818 -0.157625 -0.429545 0.001943 -0.001424 0.011594 -0.053271 -0.002484 0.010824 0.568285 -0.302818 0.963096 0.001238 -0.001234 -0.002411 0.104350 -0.123026 -0.371973 -0.000455 -0.007776 -0.011587 0.031958 0.076118 0.126127 0.006410 -0.013475 0.005619 0.015958 -0.004539 -0.001977 0.002265 0.039165 0.459433 -0.012860 0.003736 0.003784 -0.067778 0.036371 0.049249 -0.395590 0.110813 0.110413 -0.003741 -0.000204 0.000108 -0.216593 -0.022841 0.574662 0.002055 -0.001522 0.002502 -0.237346 -0.026888 -0.151254 -0.005453 -0.002754 0.002414 0.055740 -0.025360 -0.088658 0.095036 0.194763 -0.481421 0.011170 -0.006661 -0.000478 -0.003801 -0.007561 -0.004214 0.318463 0.372074 1.276801 0.008404 -0.005593 -0.007112 0.247160 0.178136 -0.334408 -0.006804 -0.002699 -0.005916 0.268529 -0.077344 -0.239759 0.013045 -0.022390 0.005324 -0.001038 0.017004 -0.001726 -0.132575 -0.032560 0.024144 0.026423 -0.006041 -0.001515 0.018214 -0.016345 -0.007605 -0.017888 0.003230 0.176223 -0.010285 0.012980 0.000522 -0.185352 0.066744 0.262553 -0.103853 -0.139649 -0.810224 -0.008036 0.002700 -0.000554 0.179162 -0.034687 -0.015435 -0.003737 -0.000412 -0.005947 -0.094043 -0.129226 -0.079498 -0.055658 0.045454 -0.005733 -0.003973 0.017440 0.018004 -0.237627 -0.048593 0.279805 -0.004184 0.003722 0.014875 0.100759 0.060485 -0.275774 -0.004025 0.011753 0.012076 -0.003834 0.010831 0.001103 0.003408 0.002584 -0.001642 0.187695 0.087814 0.307668 0.127132 0.183551 -0.102840 0.075718 0.128340 -0.071934 0.010893 -0.011689 -0.002855 -0.004089 -0.009167 -0.001410 0.010065 -0.004981 0.002696 0.034391 -0.015404 -0.006936 -0.026309 0.001380 -0.012830 0.005317 -0.009046 -0.002955 0.158894 0.009257 -0.583163 0.026634 -0.012389 -0.652379 0.063721 0.045426 0.020860 0.005018 -0.008309 0.004071 0.005903 -0.001142 0.006995 -0.004615 0.003228 0.013057 0.181350 -0.091433 -0.093489 0.011082 -0.005246 -0.001269 -0.042839 0.046482 -0.112460 -0.168513 -0.050125 -0.128778 0.021811 -0.000556 0.008256 -0.162298 -0.080159 0.114544 -0.000254 0.003179 0.005782 -0.000994 0.009984 -0.004292 -0.001873 0.012879 -0.007071 -0.082594 -0.169807 -0.139418 -0.601653 -0.169244 0.394803 0.001103 -0.008252 -0.021894 0.023843 0.015103 0.210737 0.001811 -0.002819 -0.013896 -0.031342 0.030129 -0.134511 -0.005139 0.011936 -0.003632 -0.022807 0.013864 -0.000494 -0.019744 -0.157727 -0.428173 0.003129 -0.002063 0.010278 -0.047781 -0.000204 0.008797 0.567733 -0.302997 0.963479 0.000238 -0.001487 -0.004556 0.104627 -0.123120 -0.371534 -0.000645 -0.004662 -0.011443 0.032235 0.076689 0.126842 0.007447 -0.009393 0.007343 0.013468 -0.003589 -0.003383 0.001968 0.038975 0.459554 -0.011821 0.003921 0.003787 -0.054283 0.024158 0.037235 -0.395083 0.110823 0.111757 -0.002323 -0.001452 -0.002649 -0.216057 -0.023874 0.574906 0.002770 -0.001591 0.001394 -0.237000 -0.027075 -0.150607 -0.006681 -0.001565 0.000916 0.057856 -0.027443 -0.121850 0.095532 0.194735 -0.480930 0.007138 -0.005955 -0.000330 -0.000019 -0.004122 -0.004010 0.317488 0.372842 1.276333 0.008174 -0.005732 -0.006066 0.247322 0.177926 -0.335020 -0.005518 -0.001895 -0.006767 0.268832 -0.078064 -0.239230 0.011959 -0.018937 0.004455 -0.001570 0.013594 -0.002067 -0.132439 -0.032613 0.024969 0.022707 -0.005116 -0.000045 0.012448 -0.011129 -0.004702 0.012273 -0.010526 0.044933 -0.009956 0.012682 -0.000090 -0.185442 0.066655 0.262164 -0.104673 -0.139460 -0.810296 -0.006323 0.002923 -0.000299 0.149384 -0.042550 -0.012038 -0.001360 0.000310 -0.002461 -0.094295 -0.129183 -0.079455 -0.050341 0.040184 -0.006713 -0.004325 0.012764 0.015719 -0.237794 -0.048236 0.279446 -0.003931 0.003858 0.013351 0.100581 0.060495 -0.276150 0.003777 0.014025 0.006862 -0.003263 0.009822 0.000713 0.002664 0.002515 -0.002072 0.187589 0.088477 0.307120 0.127081 0.184867 -0.103612 0.075869 0.128298 -0.071921 0.009710 -0.010138 -0.003262 -0.003594 -0.007194 -0.001592 0.008167 -0.003850 0.001953 0.033689 -0.014816 -0.007933 -0.023747 0.001109 -0.012191 0.004120 -0.008333 -0.002635 0.158912 0.009344 -0.583945 0.026736 -0.012333 -0.653150 0.063878 0.045509 0.020982 0.004435 -0.006617 0.003611 0.004873 -0.000615 0.006324 -0.004207 0.002974 0.010181 0.181224 -0.091449 -0.094083 0.009365 -0.004066 -0.002647 -0.043066 0.046617 -0.113040 -0.168656 -0.050005 -0.129235 0.020407 -0.000450 0.006913 -0.162757 -0.080185 0.113678 -0.000286 0.002481 0.005284 -0.000589 0.008702 -0.004231 -0.002042 0.014315 -0.005647 -0.082439 -0.169921 -0.139254 -0.603107 -0.169143 0.395223 0.001348 -0.007030 -0.019123 0.024091 0.014209 0.211509 0.001993 -0.003220 -0.012026 -0.031489 0.029648 -0.135302 -0.005343 0.011523 -0.001742 -0.020447 0.013873 -0.000057 -0.022267 -0.157734 -0.429570 -0.000232 -0.002036 0.011137 -0.038129 -0.003239 0.007663 0.569333 -0.303381 0.961849 0.001053 -0.001375 -0.000854 0.104348 -0.122984 -0.371709 -0.000580 -0.006160 -0.010353 0.032181 0.075617 0.126241 0.005906 -0.010123 0.007527 0.012706 -0.004356 -0.002369 0.004453 0.039107 0.458801 -0.007769 0.003728 0.003010 -0.036695 0.024835 0.040217 -0.394853 0.111017 0.111684 -0.001973 -0.000379 -0.001084 -0.216254 -0.022765 0.575296 0.002489 -0.000983 0.002625 -0.237307 -0.026368 -0.151366 -0.005434 -0.001189 0.001834 0.025745 -0.013624 0.011148 0.096356 0.194929 -0.481530 0.006371 -0.004687 0.000676 -0.002613 -0.003971 -0.003989 0.316748 0.373707 1.277824 0.006398 -0.004680 -0.006482 0.247193 0.177993 -0.335302 -0.004909 -0.001951 -0.004225 0.268819 -0.076703 -0.239883 0.010255 -0.014327 0.004587 -0.000594 0.014885 -0.001628 -0.133630 -0.032501 0.024330 0.019646 -0.004427 0.000197 0.014543 -0.014739 -0.006068 0.045506 -0.025993 -0.097630 -0.009991 0.011384 -0.000777 -0.185546 0.066515 0.262222 -0.105380 -0.139384 -0.810065 -0.005343 0.002951 -0.000099 0.122244 -0.044311 -0.009729 0.001372 0.001023 -0.000426 -0.094457 -0.129241 -0.079138 -0.042959 0.034834 -0.008191 -0.004727 0.008664 0.013571 -0.237945 -0.048194 0.279493 -0.003758 0.003817 0.012013 0.100593 0.060292 -0.276073 0.012486 0.015943 0.001584 -0.002510 0.008832 0.000418 0.001617 0.002435 -0.002812 0.187465 0.088922 0.307252 0.126766 0.185627 -0.103993 0.075680 0.128076 -0.071715 0.008502 -0.008937 -0.003603 -0.003047 -0.005621 -0.001587 0.006587 -0.003348 0.001634 0.034070 -0.014583 -0.008452 -0.022518 0.001809 -0.012203 0.003484 -0.007663 -0.001922 0.158805 0.009270 -0.584079 0.026629 -0.012403 -0.653427 0.064084 0.045430 0.021645 0.003609 -0.005799 0.003642 0.003571 -0.000316 0.006359 -0.003897 0.002575 0.008362 0.181100 -0.091645 -0.094000 0.008196 -0.003696 -0.003042 -0.043136 0.046565 -0.113085 -0.168779 -0.050058 -0.129196 0.019712 -0.000874 0.006106 -0.162949 -0.080360 0.113263 -0.000271 0.001824 0.005295 -0.000986 0.007454 -0.003688 -0.001507 0.017408 -0.004602 -0.082492 -0.170037 -0.138652 -0.602356 -0.169018 0.395875 0.001094 -0.004973 -0.017868 0.024098 0.013275 0.212032 0.002139 -0.001784 -0.010793 -0.031445 0.029457 -0.135144 -0.005186 0.010281 -0.001551 -0.017887 0.011997 0.000376 -0.023774 -0.157898 -0.430143 -0.001900 -0.001827 0.012263 -0.024059 -0.005770 0.004672 0.568424 -0.303727 0.961369 0.001487 -0.001545 0.000980 0.104254 -0.123315 -0.371444 -0.001022 -0.007172 -0.010042 0.031841 0.075611 0.126467 0.004715 -0.008509 0.007396 0.011562 -0.005319 -0.002869 0.005739 0.039027 0.457979 -0.005501 0.003365 0.003697 -0.024528 0.028740 0.039828 -0.394879 0.110929 0.112137 -0.002475 -0.000116 -0.001894 -0.216599 -0.022103 0.575782 0.002296 -0.001904 0.002910 -0.237287 -0.026329 -0.151146 -0.004830 -0.000922 0.001991 -0.013191 0.004478 0.153536 0.096104 0.194877 -0.481393 0.003854 -0.004151 0.001368 -0.003317 -0.003244 -0.003689 0.316125 0.374025 1.278541 0.005427 -0.004134 -0.006355 0.247259 0.178173 -0.334988 -0.003983 -0.001535 -0.003089 0.268497 -0.076821 -0.239663 0.009363 -0.012777 0.003942 0.000961 0.016055 -0.000470 -0.133726 -0.032546 0.024563 0.018028 -0.004123 0.000643 0.014793 -0.017912 -0.006483 0.040360 -0.025145 -0.073527 -0.008568 0.012290 -0.001619 -0.185656 0.066713 0.262624 -0.105116 -0.139078 -0.809440 -0.003553 0.001723 -0.000441 0.063502 -0.030217 0.003217 0.001716 -0.000057 -0.002473 -0.094771 -0.128618 -0.078307 -0.027541 0.019266 -0.007448 -0.004643 0.004504 0.007263 -0.238061 -0.048239 0.279806 -0.001925 0.003234 0.008724 0.100753 0.060135 -0.275730 0.011030 0.018812 0.002521 -0.001243 0.007078 0.000595 0.000488 0.002084 -0.001765 0.187587 0.088602 0.307773 0.126777 0.185101 -0.104966 0.075563 0.127937 -0.070806 0.005589 -0.006907 -0.003357 -0.002202 -0.006219 -0.000749 0.004395 -0.002481 0.001951 0.032478 -0.013119 -0.006183 -0.017340 0.002798 -0.011694 0.001376 -0.005958 -0.001263 0.158849 0.009314 -0.583703 0.026511 -0.012286 -0.652866 0.063641 0.045520 0.022322 0.002703 -0.004687 0.003938 0.004498 0.001119 0.005564 -0.003440 0.002772 0.004405 0.181242 -0.091393 -0.093671 0.005445 -0.001449 -0.002780 -0.043125 0.046640 -0.112606 -0.168746 -0.049978 -0.128966 0.019535 -0.001757 0.005931 -0.163255 -0.080558 0.111527 0.000384 0.002200 0.004576 0.001137 0.001459 -0.003730 -0.000497 0.025312 -0.001460 -0.082002 -0.169873 -0.137409 -0.604000 -0.169010 0.394803 0.001794 -0.004622 -0.018029 0.024748 0.011960 0.211127 0.003633 -0.002347 -0.012380 -0.031367 0.030242 -0.134934 -0.005507 0.011804 -0.001995 -0.015914 0.012167 0.000630 -0.020375 -0.157705 -0.430611 0.003820 -0.001945 0.013583 -0.009312 -0.009133 0.002812 0.569436 -0.303420 0.963518 0.001961 -0.002055 -0.001398 0.104106 -0.122831 -0.372362 -0.001373 -0.007894 -0.011644 0.031832 0.076932 0.126527 0.003224 -0.004077 0.005675 0.011591 -0.005869 -0.002983 0.002178 0.039077 0.459442 -0.012551 0.003215 0.002505 0.001265 0.019822 0.041211 -0.394833 0.110948 0.110523 -0.002667 0.001991 -0.002052 -0.216361 -0.020679 0.574954 0.003319 -0.001658 0.002284 -0.237098 -0.026951 -0.150990 -0.004246 -0.002678 0.001175 -0.000366 -0.000951 0.141674 0.095000 0.194934 -0.481332 0.000783 -0.003654 0.000081 -0.005250 -0.003047 -0.003232 0.315347 0.374979 1.277454 0.005614 -0.003013 -0.008510 0.246910 0.177761 -0.335913 -0.004096 -0.001836 -0.005800 0.268427 -0.077873 -0.239483 0.008983 -0.010640 0.002824 -0.001494 0.016745 -0.000301 -0.132595 -0.032457 0.024752 0.014269 -0.003132 -0.001524 0.017292 -0.019695 -0.007855 0.017784 -0.018685 0.018172 -0.000908 0.011271 -0.002866 -0.185476 0.066549 0.262661 -0.105683 -0.138570 -0.808618 0.002772 -0.000833 -0.001629 -0.093484 0.007733 0.033423 0.003386 -0.001688 -0.003881 -0.095312 -0.127744 -0.076486 0.020944 -0.023207 -0.005274 -0.004912 -0.007190 -0.005239 -0.238077 -0.047997 0.279820 0.000603 0.001232 -0.001080 0.100194 0.059361 -0.275727 0.005534 0.025327 0.004284 0.002938 -0.000260 0.000787 -0.003011 0.001288 0.000938 0.187092 0.088548 0.307210 0.127532 0.186834 -0.107193 0.075430 0.127383 -0.068441 -0.003462 0.001424 -0.002581 -0.000004 -0.002582 0.001524 -0.001325 -0.000226 0.003459 0.032039 -0.009728 -0.003921 -0.006635 0.004757 -0.009991 -0.002713 -0.000995 0.000727 0.158868 0.009172 -0.584336 0.026169 -0.012327 -0.652764 0.063371 0.045700 0.024067 -0.000959 -0.001882 0.005182 0.001352 0.003606 0.003921 -0.001599 0.002696 -0.003990 0.180830 -0.091477 -0.093897 -0.001291 0.003086 -0.002979 -0.043400 0.046695 -0.112499 -0.168789 -0.049985 -0.129253 0.020303 -0.001478 0.004820 -0.164714 -0.081215 0.107246 0.001319 0.002136 0.001621 0.007296 -0.014413 -0.005463 0.000514 0.043165 0.004582 -0.081422 -0.170092 -0.134313 -0.601988 -0.168534 0.395695 0.000813 -0.003990 -0.006072 0.025527 0.011709 0.211916 0.006505 -0.002425 -0.002762 -0.031528 0.029960 -0.135085 -0.002607 0.006831 -0.002241 0.002710 0.004314 -0.003057 -0.019253 -0.157515 -0.429600 0.005173 -0.000356 0.007634 0.042806 -0.013873 -0.006874 0.566656 -0.304445 0.963086 0.001969 -0.003120 0.003106 0.103521 -0.122542 -0.373200 -0.002847 -0.006844 -0.007299 0.031676 0.076514 0.125871 -0.002666 0.005769 0.002395 0.007487 -0.010912 -0.004086 0.001108 0.038987 0.458182 -0.010632 0.001307 0.000547 0.071897 -0.007159 0.023563 -0.393219 0.110902 0.110670 -0.001346 0.006889 -0.003446 -0.217060 -0.020795 0.575891 0.003846 -0.001382 0.006404 -0.237191 -0.026648 -0.151342 -0.001868 -0.004281 -0.000491 0.035267 -0.017547 0.047298 0.096497 0.194897 -0.481452 -0.008971 0.000600 0.001726 -0.005920 0.005890 -0.002250 0.310908 0.378297 1.278351 -0.001085 0.000291 -0.008018 0.247553 0.177328 -0.337735 -0.000282 -0.000876 -0.003784 0.268217 -0.077176 -0.239970 -0.000871 0.005503 -0.000011 -0.008261 0.013790 -0.001972 -0.134685 -0.032374 0.024483 0.001862 -0.001613 -0.000730 0.017189 -0.020761 -0.007363 0.006942 -0.013276 0.060834 -0.000588 0.008944 -0.002686 -0.185476 0.066581 0.262352 -0.106219 -0.138598 -0.807994 0.002662 -0.000646 -0.001750 -0.078789 0.011309 0.033699 0.003009 -0.002163 -0.002593 -0.095652 -0.127900 -0.076431 0.025188 -0.024585 -0.001647 -0.002481 -0.008517 -0.009669 -0.238111 -0.048064 0.279587 0.000686 0.000945 -0.004045 0.100084 0.059170 -0.276030 0.001455 0.023414 0.004812 0.002869 -0.001385 0.000675 -0.002854 0.001083 -0.000059 0.186979 0.088862 0.306782 0.127555 0.187278 -0.107260 0.075493 0.127375 -0.068847 -0.004335 0.002264 -0.001903 0.000381 -0.002215 0.000777 -0.001917 0.000065 0.001718 0.031033 -0.007807 -0.005189 -0.009091 0.005621 -0.011031 -0.002368 0.000198 0.000937 0.158895 0.009156 -0.584599 0.026156 -0.012440 -0.653546 0.063344 0.045662 0.024913 -0.000899 -0.002047 0.005168 0.000238 0.002415 0.003112 -0.001021 0.001489 -0.002672 0.180709 -0.091460 -0.094325 -0.002210 0.003014 -0.002486 -0.043534 0.046665 -0.112905 -0.168907 -0.049994 -0.129616 0.020483 -0.001207 0.002492 -0.164993 -0.081288 0.106733 0.000970 0.001723 0.001904 0.006757 -0.012984 -0.005010 -0.001309 0.041256 0.003849 -0.081461 -0.170166 -0.134423 -0.602263 -0.168114 0.396646 -0.001536 -0.002121 0.001827 0.026010 0.010668 0.212672 0.006054 -0.001093 0.001393 -0.031505 0.029352 -0.135361 -0.000597 0.002897 -0.001845 0.008082 -0.000308 -0.004198 -0.020926 -0.157769 -0.430538 0.005371 0.000875 0.005236 0.046690 -0.014005 -0.008741 0.566425 -0.304901 0.963790 0.001632 -0.002528 0.005597 0.102934 -0.122645 -0.373167 -0.002892 -0.004613 -0.002865 0.031333 0.074023 0.125745 -0.004210 0.006265 0.000318 0.007248 -0.010742 -0.003879 0.002686 0.038910 0.457860 -0.007663 0.000435 -0.000747 0.067311 -0.009917 0.022341 -0.392812 0.110612 0.110963 0.000196 0.006506 -0.003068 -0.217771 -0.020025 0.576806 0.001598 -0.001749 0.007399 -0.237236 -0.026126 -0.151463 -0.000188 -0.004046 -0.000889 0.050401 -0.025663 -0.001083 0.096946 0.195017 -0.481460 -0.010672 0.002059 0.002773 -0.007217 0.008309 -0.001814 0.310028 0.378833 1.279158 -0.004014 0.001421 -0.006053 0.248078 0.177371 -0.337940 0.002224 -0.000489 -0.002339 0.267962 -0.074644 -0.240197 -0.004763 0.009611 -0.001540 -0.010848 0.012743 -0.002296 -0.135455 -0.032343 0.024548 -0.002054 -0.000714 -0.000844 0.015735 -0.019092 -0.006374 -0.025986 0.002466 0.201182 0.001106 0.007826 -0.004031 -0.184830 0.066330 0.262568 -0.107454 -0.138374 -0.806683 0.005019 -0.000125 -0.001951 -0.044282 0.023628 0.036736 0.002729 -0.004143 -0.002182 -0.095990 -0.127588 -0.075307 0.038821 -0.029165 0.004235 -0.000330 -0.011035 -0.018003 -0.237551 -0.048007 0.279845 0.001218 -0.000138 -0.012066 0.099853 0.058691 -0.275562 -0.010569 0.019442 0.009243 0.003180 -0.005630 0.002006 -0.002895 0.000129 -0.001213 0.186544 0.088318 0.306246 0.128605 0.188135 -0.106056 0.076441 0.127227 -0.068316 -0.007625 0.005514 0.001436 0.002189 -0.001016 -0.000180 -0.005226 0.001122 -0.002792 0.028381 -0.003371 -0.005442 -0.010603 0.008451 -0.011640 -0.003616 0.003974 0.001867 0.159079 0.009081 -0.584780 0.026004 -0.012589 -0.653126 0.064020 0.045636 0.026057 -0.000951 -0.000696 0.006239 -0.002009 0.001410 0.001198 0.000928 -0.001595 -0.002660 0.180522 -0.091789 -0.094514 -0.004965 0.003380 -0.002094 -0.043333 0.046582 -0.112793 -0.168661 -0.050135 -0.129656 0.023412 -0.002556 -0.000147 -0.165908 -0.081732 0.105075 0.001468 0.001042 0.002560 0.007196 -0.011503 -0.003638 -0.005975 0.040114 0.001866 -0.080772 -0.171613 -0.133491 -0.598621 -0.167931 0.397214 -0.005336 -0.001670 0.015747 0.026568 0.012968 0.212832 0.003062 -0.002725 0.005101 -0.031460 0.029404 -0.134672 0.002172 -0.002360 -0.001070 0.006475 -0.005507 -0.004417 -0.017192 -0.157569 -0.428551 0.007451 0.003124 -0.000919 0.038453 -0.014780 -0.008134 0.562533 -0.304752 0.963962 0.005413 -0.000319 0.008538 0.102598 -0.122426 -0.373696 -0.002610 -0.004285 0.002255 0.031640 0.074471 0.125720 -0.004506 0.005196 -0.006024 0.008069 -0.012684 -0.002822 -0.000185 0.038762 0.457846 -0.005855 -0.000794 -0.003029 0.050214 -0.011871 0.018764 -0.392000 0.110449 0.111342 0.002219 0.008121 -0.003289 -0.217352 -0.022851 0.578000 -0.001563 0.002170 0.006056 -0.237256 -0.026494 -0.151094 0.004367 -0.004934 -0.001922 0.083773 -0.043151 -0.147900 0.098798 0.194845 -0.480715 -0.012836 0.000214 0.000609 -0.009396 0.012587 -0.000333 0.309143 0.379164 1.280809 -0.005173 0.002233 -0.007596 0.248183 0.176858 -0.338958 0.004069 0.000014 -0.001738 0.268314 -0.075394 -0.240005 -0.008953 0.012482 -0.004397 -0.007317 0.011543 -0.000946 -0.137068 -0.032486 0.024975 -0.007564 0.000508 -0.002486 0.011547 -0.015826 -0.005094 -0.095533 0.034863 0.486375 0.005095 0.004530 -0.007017 -0.185842 0.066490 0.262525 -0.110410 -0.138029 -0.804082 0.006703 -0.000220 -0.002732 0.016139 0.053572 0.038771 0.003161 -0.010045 0.001176 -0.097031 -0.126765 -0.073415 0.065006 -0.039157 0.016405 0.003924 -0.017502 -0.035352 -0.238574 -0.048055 0.280038 0.003054 -0.002161 -0.030069 0.100315 0.057284 -0.276499 -0.033589 0.010552 0.019368 0.003474 -0.011202 0.002605 -0.002829 -0.001513 -0.004139 0.188161 0.088882 0.305617 0.129177 0.190392 -0.107957 0.077254 0.127151 -0.070355 -0.013921 0.012005 0.006318 0.006556 0.000674 -0.002480 -0.009903 0.003157 -0.010587 0.024692 0.003642 -0.008430 -0.012395 0.014289 -0.013364 -0.006110 0.011638 0.003775 0.159654 0.008943 -0.586332 0.026361 -0.012626 -0.653915 0.064872 0.045730 0.030199 -0.001560 0.001501 0.008949 -0.007044 -0.000321 -0.003741 0.002982 -0.008723 -0.001705 0.181490 -0.092086 -0.095214 -0.010799 0.004939 -0.001085 -0.043191 0.046581 -0.113357 -0.168800 -0.050170 -0.130482 0.027945 -0.002827 -0.006446 -0.167414 -0.082448 0.100540 0.002751 -0.000774 0.003740 0.010161 -0.008621 -0.001439 -0.018462 0.035394 -0.001903 -0.080019 -0.173770 -0.133521 -0.599290 -0.167009 0.399707 -0.014465 0.001162 0.046302 0.027923 0.010071 0.214178 -0.003657 0.003861 0.018054 -0.030898 0.028894 -0.134164 0.006657 -0.015257 0.000882 0.007542 -0.015153 -0.004983 -0.022271 -0.157880 -0.431099 0.011264 0.009272 -0.006125 0.018202 -0.017305 -0.012892 0.561509 -0.304405 0.965938 0.011174 0.003999 0.019463 0.101647 -0.122022 -0.374810 -0.001604 0.001676 0.016741 0.031059 0.073195 0.126969 -0.005989 0.003141 -0.017478 0.010750 -0.014561 -0.001805 0.005481 0.038537 0.458025 0.002918 -0.003811 -0.007771 0.025678 -0.015431 0.017217 -0.390398 0.109954 0.114033 0.005010 0.012628 -0.005066 -0.217479 -0.020709 0.581817 -0.010344 0.002996 0.004840 -0.236768 -0.026109 -0.150191 0.013484 -0.003598 -0.001778 0.169689 -0.094457 -0.454927 0.093379 0.195071 -0.479942 -0.016810 -0.000665 -0.000136 -0.016236 0.022321 0.000316 0.306894 0.380144 1.285271 -0.009012 0.002205 -0.009039 0.248765 0.176486 -0.341057 0.009728 0.000047 0.005602 0.267912 -0.074004 -0.239151 -0.018342 0.018805 -0.009314 -0.000769 0.003105 -0.001341 -0.131662 -0.032464 0.025876 -0.020160 0.003869 -0.004864 0.003988 -0.011794 -0.004087 -0.061101 0.018817 0.354549 0.003390 0.007941 -0.004236 -0.184403 0.066382 0.262838 -0.108088 -0.138408 -0.804771 0.005654 -0.000333 -0.003288 -0.010662 0.040323 0.032897 0.003079 -0.007576 -0.001837 -0.096156 -0.127458 -0.074394 0.052317 -0.035174 0.009842 0.002083 -0.014563 -0.026633 -0.237134 -0.048380 0.280232 0.002628 -0.001237 -0.021564 0.100392 0.057729 -0.275496 -0.023735 0.015721 0.015325 0.003359 -0.007843 0.002925 -0.002862 -0.000932 -0.002268 0.187016 0.088195 0.306195 0.129345 0.188999 -0.105732 0.077370 0.127027 -0.068571 -0.010808 0.008660 0.004326 0.004752 -0.000031 -0.000901 -0.007209 0.002064 -0.005435 0.022431 -0.000173 -0.005362 -0.009783 0.011811 -0.011846 -0.004125 0.007819 0.002843 0.159646 0.008858 -0.585322 0.026387 -0.012821 -0.653446 0.064489 0.045562 0.029040 -0.000308 0.000342 0.007145 -0.004266 0.000016 -0.001227 0.002561 -0.004844 -0.001347 0.180987 -0.091877 -0.094587 -0.007516 0.004261 -0.001084 -0.042998 0.046371 -0.112666 -0.168355 -0.050335 -0.129828 0.026414 -0.003294 -0.004160 -0.166212 -0.082292 0.103274 0.002414 -0.000954 0.004119 0.009332 -0.010716 -0.002473 -0.011734 0.039632 0.000313 -0.080122 -0.172759 -0.132882 -0.598623 -0.167523 0.398906 -0.011943 0.003515 0.037206 0.027980 0.010987 0.213617 -0.001635 0.000314 0.015896 -0.031172 0.028892 -0.134232 0.007404 -0.014976 -0.000455 0.012075 -0.013506 -0.003130 -0.015846 -0.157726 -0.429615 0.010058 0.007088 -0.009800 0.023154 -0.012249 -0.010401 0.561946 -0.304746 0.965086 0.007146 0.003521 0.012329 0.102106 -0.122337 -0.374125 -0.001338 0.002158 0.013127 0.031910 0.072688 0.125957 -0.004756 0.002470 -0.014916 0.005956 -0.011068 -0.000542 -0.000472 0.038435 0.458366 0.002176 -0.003172 -0.006952 0.024631 -0.020030 0.009771 -0.390614 0.109794 0.113481 0.004916 0.009337 -0.005982 -0.217111 -0.021703 0.580689 -0.008076 0.003810 0.002509 -0.236920 -0.026393 -0.150744 0.012480 -0.002916 -0.002668 0.131535 -0.073527 -0.321435 0.099230 0.194648 -0.479994 -0.009706 0.000279 -0.000711 -0.008680 0.019260 0.002482 0.308138 0.379631 1.285660 -0.009660 0.001624 -0.005891 0.248901 0.176533 -0.339831 0.007600 -0.000377 0.000749 0.268613 -0.073826 -0.239794 -0.017271 0.018895 -0.009380 -0.006784 0.001321 -0.000855 -0.136712 -0.032623 0.025638 -0.020002 0.002754 -0.002552 0.000898 -0.003784 -0.001968 -0.061153 0.018869 0.348390 0.004267 0.005591 -0.005471 -0.185486 0.066416 0.262476 -0.108833 -0.138334 -0.805162 0.006158 -0.000213 -0.002265 -0.010426 0.040847 0.035192 0.002835 -0.006775 -0.000769 -0.096554 -0.127263 -0.074416 0.053951 -0.034258 0.012646 0.002723 -0.015020 -0.028001 -0.238194 -0.048206 0.279889 0.002687 -0.001389 -0.022321 0.100616 0.057697 -0.276104 -0.023410 0.015765 0.014957 0.003089 -0.007853 0.002214 -0.002696 -0.000934 -0.002947 0.187915 0.088712 0.306181 0.128773 0.189308 -0.107573 0.077061 0.127115 -0.069813 -0.011209 0.008932 0.003901 0.005109 -0.000177 -0.001284 -0.006949 0.002516 -0.007451 0.023404 0.000285 -0.006462 -0.009781 0.011360 -0.011422 -0.004802 0.008496 0.003133 0.159671 0.008913 -0.585744 0.026587 -0.012695 -0.654113 0.064430 0.045538 0.028984 -0.000818 0.001204 0.006397 -0.004648 -0.000243 -0.002395 0.002478 -0.006444 -0.002346 0.181422 -0.091950 -0.094906 -0.008103 0.004200 -0.001051 -0.043088 0.046481 -0.113148 -0.168657 -0.050244 -0.130178 0.024398 -0.002621 -0.004341 -0.166604 -0.082233 0.102372 0.002060 -0.000889 0.003694 0.009137 -0.009767 -0.001446 -0.012490 0.037489 0.000175 -0.080191 -0.173032 -0.133770 -0.601644 -0.167492 0.398872 -0.010672 0.002364 0.034962 0.027797 0.009168 0.213852 -0.000958 0.003102 0.013401 -0.031255 0.029242 -0.134693 0.005416 -0.011649 -0.001028 0.010090 -0.012072 -0.003907 -0.020192 -0.157849 -0.432065 0.010253 0.006346 -0.002815 0.024847 -0.013948 -0.011478 0.564911 -0.304691 0.966025 0.007176 0.002954 0.012312 0.102139 -0.121763 -0.374223 -0.002292 0.000225 0.011023 0.031741 0.073631 0.126233 -0.004933 0.005539 -0.012387 0.007483 -0.011920 -0.001633 0.003233 0.038525 0.458636 0.000121 -0.002886 -0.006347 0.032268 -0.017068 0.015283 -0.391467 0.110014 0.112976 0.003908 0.010261 -0.004038 -0.217316 -0.019694 0.580360 -0.006930 0.001846 0.003597 -0.237017 -0.026525 -0.150906 0.010753 -0.004660 -0.001346 0.128359 -0.072604 -0.306369 0.094862 0.194864 -0.480707 -0.013663 0.000664 0.000600 -0.011212 0.018600 0.001159 0.308724 0.379746 1.282647 -0.008993 0.002102 -0.006333 0.248543 0.176110 -0.339794 0.007148 -0.000564 0.001419 0.268412 -0.074665 -0.239611 -0.015572 0.015612 -0.007940 -0.004628 0.004462 -0.000989 -0.132826 -0.032534 0.025318 -0.015905 0.002597 -0.002561 0.004616 -0.010583 -0.003204 -0.057718 0.017867 0.332081 0.004128 0.005657 -0.004856 -0.184773 0.066667 0.262541 -0.108702 -0.138206 -0.804268 0.006170 -0.000292 -0.002766 0.003210 0.039894 0.035195 0.002965 -0.008259 0.001290 -0.096633 -0.127112 -0.074209 0.054947 -0.034261 0.012486 0.003355 -0.015288 -0.029802 -0.237471 -0.048379 0.279895 0.003252 -0.001356 -0.023629 0.100581 0.057653 -0.275717 -0.024012 0.014321 0.014086 0.002893 -0.008123 0.002598 -0.002629 -0.001172 -0.003298 0.186818 0.088359 0.306136 0.128725 0.188506 -0.106059 0.077088 0.127174 -0.068956 -0.011544 0.009186 0.004820 0.005044 -0.000905 -0.001646 -0.007226 0.002754 -0.008119 0.021191 0.002456 -0.005950 -0.010998 0.012314 -0.012576 -0.004866 0.009017 0.002828 0.159459 0.009054 -0.585017 0.025974 -0.012691 -0.653461 0.064035 0.045610 0.029473 -0.000670 0.001107 0.007123 -0.003980 -0.000382 -0.002662 0.002481 -0.006212 -0.001716 0.180728 -0.091855 -0.094788 -0.008569 0.004404 -0.000995 -0.043031 0.046507 -0.112915 -0.168645 -0.050175 -0.130156 0.025526 -0.002482 -0.005191 -0.166782 -0.082246 0.102630 0.002248 -0.000495 0.003101 0.009251 -0.009189 -0.001606 -0.012702 0.037593 -0.000079 -0.080311 -0.173004 -0.132983 -0.600573 -0.167578 0.398852 -0.011607 0.001384 0.036357 0.027760 0.009874 0.213972 -0.001256 0.001291 0.013156 -0.031577 0.029788 -0.134366 0.005300 -0.011665 -0.000083 0.010322 -0.012135 -0.004145 -0.014563 -0.157506 -0.431301 0.014136 0.006730 -0.004905 0.023459 -0.015613 -0.011028 0.563195 -0.304345 0.968692 0.007347 0.003254 0.010071 0.102082 -0.121641 -0.373932 -0.002082 0.000636 0.011617 0.031818 0.073694 0.125662 -0.005186 0.006680 -0.013677 0.007873 -0.012384 -0.001875 -0.002513 0.038592 0.459243 -0.004216 -0.003171 -0.006966 0.028482 -0.019762 0.017839 -0.391171 0.110236 0.113430 0.004114 0.011573 -0.006305 -0.217317 -0.020383 0.580588 -0.006742 0.004041 0.003383 -0.237241 -0.026966 -0.150961 0.011417 -0.004728 -0.001960 0.125647 -0.072115 -0.287310 0.097705 0.194746 -0.480480 -0.014829 0.000597 -0.000259 -0.012556 0.019343 0.000972 0.308201 0.379760 1.282195 -0.008695 0.001800 -0.006689 0.248461 0.176073 -0.339758 0.006405 -0.000263 -0.000609 0.268472 -0.074638 -0.239958 -0.016200 0.014298 -0.008798 -0.007014 0.005743 -0.001607 -0.135708 -0.032519 0.025274 -0.015860 0.002960 -0.003131 0.005902 -0.009701 -0.004067 -0.052015 0.016034 0.301899 0.005358 0.004491 -0.007278 -0.185776 0.066565 0.261957 -0.110672 -0.138010 -0.804672 0.006063 0.000043 -0.002346 0.017946 0.041521 0.036462 0.002798 -0.008333 0.002287 -0.097062 -0.127040 -0.074331 0.057918 -0.034031 0.015630 0.004195 -0.016356 -0.033010 -0.238519 -0.047911 0.279460 0.002774 -0.001774 -0.027018 0.100458 0.057646 -0.276354 -0.022615 0.012822 0.012849 0.002470 -0.010098 0.002065 -0.003024 -0.001432 -0.004710 0.187471 0.089344 0.305529 0.128527 0.190894 -0.107586 0.077403 0.127323 -0.070533 -0.012799 0.011243 0.005520 0.006006 0.001061 -0.002938 -0.009113 0.002931 -0.011108 0.022508 0.003304 -0.008199 -0.012413 0.013285 -0.012302 -0.005615 0.010505 0.003190 0.159377 0.009145 -0.586681 0.026081 -0.012566 -0.654738 0.064711 0.045759 0.029795 -0.001312 0.001660 0.007251 -0.007449 -0.000538 -0.003804 0.002490 -0.008384 -0.002030 0.181039 -0.092030 -0.095507 -0.009867 0.004369 -0.001242 -0.043252 0.046687 -0.113820 -0.168981 -0.050050 -0.130737 0.026036 -0.002265 -0.006317 -0.167438 -0.082255 0.101182 0.002012 -0.000803 0.003335 0.008970 -0.007379 -0.000496 -0.016061 0.033007 -0.001268 -0.080509 -0.173678 -0.134004 -0.600609 -0.167273 0.399379 -0.012803 -0.000056 0.040635 0.027366 0.009575 0.214030 -0.002633 0.003920 0.014366 -0.031445 0.029084 -0.134760 0.005750 -0.012032 0.000365 0.006254 -0.012138 -0.003994 -0.021438 -0.157650 -0.432429 0.008914 0.007715 -0.003082 0.019246 -0.019054 -0.011386 0.563025 -0.304478 0.964820 0.009878 0.003561 0.017569 0.101933 -0.121946 -0.374599 -0.002732 -0.001616 0.013717 0.031254 0.073392 0.125857 -0.005580 0.002084 -0.014521 0.010449 -0.016160 -0.001861 0.004090 0.038689 0.457791 0.003457 -0.003276 -0.007303 0.033037 -0.012916 0.025836 -0.391382 0.110456 0.112941 0.004248 0.012806 -0.003914 -0.217726 -0.019877 0.580967 -0.007966 0.003704 0.004433 -0.237317 -0.026027 -0.151159 0.011892 -0.005591 -0.000639 0.120729 -0.072845 -0.252707 0.095203 0.195077 -0.480787 -0.014654 0.000061 0.000856 -0.016427 0.020647 0.000752 0.307779 0.379996 1.284716 -0.008784 0.001132 -0.010568 0.248398 0.176634 -0.340422 0.007411 0.000853 0.002467 0.267961 -0.074005 -0.239935 -0.016707 0.017565 -0.008543 -0.002793 0.009075 -0.000886 -0.133940 -0.032345 0.025013 -0.018225 0.003528 -0.004166 0.006767 -0.014977 -0.004233 -0.035580 0.009679 0.241513 0.006911 0.003081 -0.008220 -0.185885 0.066419 0.262580 -0.111797 -0.137862 -0.803712 0.006262 0.000221 -0.002851 0.058533 0.046158 0.030592 0.002654 -0.009877 0.002600 -0.097198 -0.126875 -0.073347 0.063777 -0.034143 0.019872 0.006936 -0.018041 -0.038477 -0.238600 -0.047903 0.280139 0.003454 -0.002488 -0.032717 0.100559 0.057481 -0.275675 -0.023073 0.008394 0.012812 0.002198 -0.012697 0.003702 -0.002558 -0.002448 -0.005932 0.188260 0.088524 0.305627 0.129502 0.191026 -0.107283 0.078363 0.127264 -0.071152 -0.014801 0.012763 0.009017 0.007870 0.001301 -0.003886 -0.011780 0.003897 -0.015105 0.018268 0.007946 -0.007756 -0.014192 0.016520 -0.012867 -0.006193 0.013130 0.004145 0.159738 0.009028 -0.586552 0.026240 -0.012624 -0.653852 0.065638 0.045811 0.030610 -0.001007 0.002833 0.008013 -0.008151 -0.001891 -0.005816 0.004002 -0.011201 -0.001116 0.181649 -0.092282 -0.095082 -0.011440 0.004223 -0.000594 -0.042978 0.046594 -0.113351 -0.168710 -0.050145 -0.130235 0.030214 -0.003693 -0.008897 -0.167926 -0.082658 0.100161 0.002522 -0.000929 0.005401 0.009812 -0.004882 0.001258 -0.021450 0.031665 -0.002395 -0.079924 -0.175033 -0.133664 -0.597222 -0.166873 0.398831 -0.017508 -0.000536 0.049799 0.028166 0.011170 0.213217 -0.004482 0.005036 0.019517 -0.030658 0.029239 -0.134109 0.008325 -0.015348 0.000111 0.004766 -0.017854 -0.003003 -0.020071 -0.157588 -0.430879 0.013223 0.011859 -0.008602 0.006996 -0.019458 -0.010642 0.559352 -0.304160 0.964830 0.012087 0.005678 0.021018 0.101454 -0.121762 -0.375881 -0.000522 0.000331 0.019367 0.030962 0.074625 0.126632 -0.004846 0.000015 -0.021289 0.010322 -0.018385 -0.001296 0.003769 0.038546 0.457852 0.004628 -0.005374 -0.009098 0.009496 -0.013142 0.022341 -0.390378 0.109946 0.111953 0.006318 0.012815 -0.002839 -0.217177 -0.022033 0.581376 -0.011897 0.006472 0.003510 -0.236594 -0.026401 -0.150394 0.016314 -0.006434 -0.002500 0.090451 -0.064679 -0.195766 0.092973 0.195096 -0.479903 -0.012784 -0.000377 -0.000915 -0.019696 0.024684 0.002874 0.307373 0.380015 1.286188 -0.008509 0.002916 -0.010363 0.248669 0.176270 -0.342076 0.010368 0.000805 0.003626 0.267821 -0.075470 -0.239152 -0.019363 0.018278 -0.011136 0.000990 0.003330 0.001535 -0.131034 -0.032450 0.025747 -0.024493 0.004133 -0.006725 0.002293 -0.009218 -0.001269 -0.004907 -0.001344 0.120084 0.009918 -0.000220 -0.009900 -0.184877 0.066712 0.262071 -0.114875 -0.137456 -0.801667 0.006674 0.000937 -0.001405 0.142221 0.052525 0.021976 0.002898 -0.014067 0.006221 -0.098195 -0.126726 -0.072755 0.073898 -0.031377 0.030761 0.013063 -0.020660 -0.050598 -0.237758 -0.048015 0.279759 0.005046 -0.003890 -0.044054 0.101092 0.056604 -0.275403 -0.023355 -0.001432 0.010255 0.001852 -0.018555 0.004590 -0.002266 -0.004238 -0.009379 0.186575 0.089275 0.304813 0.129543 0.193462 -0.104569 0.079632 0.127356 -0.071183 -0.018303 0.017987 0.014093 0.010405 0.002616 -0.007084 -0.016887 0.006003 -0.023080 0.009267 0.016390 -0.006733 -0.016579 0.021967 -0.013329 -0.007535 0.019017 0.004777 0.159731 0.009138 -0.587592 0.025588 -0.012757 -0.654626 0.066440 0.046002 0.033877 -0.001113 0.005453 0.008895 -0.013646 -0.004388 -0.010129 0.006277 -0.016625 0.000262 0.180650 -0.092638 -0.095871 -0.015843 0.003996 0.000181 -0.042667 0.046646 -0.114075 -0.168793 -0.050148 -0.131103 0.034938 -0.004807 -0.014981 -0.169465 -0.083216 0.097911 0.002684 -0.002936 0.006821 0.009203 0.001597 0.005942 -0.030247 0.026173 -0.005736 -0.079825 -0.177235 -0.132970 -0.597295 -0.166293 0.400607 -0.024787 0.001030 0.071544 0.028741 0.009756 0.213763 -0.009142 0.008279 0.027559 -0.031935 0.028818 -0.133586 0.012841 -0.025701 0.001094 0.003216 -0.026790 -0.003891 -0.015038 -0.157199 -0.432739 0.013265 0.017813 -0.012404 -0.011159 -0.024601 -0.011573 0.557814 -0.303771 0.964347 0.016426 0.008827 0.030504 0.100788 -0.121292 -0.376768 0.002471 0.004604 0.027577 0.032031 0.071505 0.125238 -0.004247 -0.005266 -0.031273 0.012488 -0.020976 -0.001420 -0.000877 0.038427 0.458767 0.014199 -0.007012 -0.012980 -0.028544 -0.013964 0.023886 -0.389792 0.110054 0.114600 0.009090 0.014129 -0.006206 -0.217410 -0.021135 0.583944 -0.017551 0.010538 0.001749 -0.237651 -0.026039 -0.150707 0.022774 -0.005225 -0.003445 0.056102 -0.055604 -0.068645 0.099343 0.194838 -0.479489 -0.012254 -0.000702 -0.002996 -0.027896 0.034100 0.003194 0.306464 0.380289 1.288772 -0.009616 0.002456 -0.007578 0.249025 0.175937 -0.343437 0.013438 0.003125 0.004737 0.268690 -0.072221 -0.239997 -0.025956 0.021996 -0.015518 0.005605 -0.005296 0.002664 -0.137740 -0.032368 0.025569 -0.034177 0.006426 -0.008310 -0.002199 -0.008622 -0.002223 0.057080 -0.022001 -0.116684 0.019476 -0.007167 -0.014863 -0.184287 0.066705 0.261649 -0.120990 -0.136738 -0.797599 0.008381 0.002467 -0.002458 0.304107 0.066538 0.001218 0.002389 -0.016598 0.016851 -0.099654 -0.126186 -0.070584 0.099149 -0.031691 0.052101 0.023247 -0.027854 -0.075863 -0.237209 -0.047905 0.279648 0.007671 -0.006666 -0.068762 0.102246 0.055141 -0.274871 -0.027499 -0.016201 0.005477 0.001065 -0.029851 0.006063 -0.002047 -0.007939 -0.017246 0.186297 0.089747 0.303616 0.130480 0.197309 -0.102436 0.082436 0.127422 -0.073476 -0.025191 0.026434 0.024451 0.017808 0.005707 -0.012591 -0.027425 0.010194 -0.039302 -0.002265 0.033670 -0.002990 -0.019890 0.032389 -0.013548 -0.010273 0.030007 0.007229 0.160202 0.009087 -0.590254 0.025159 -0.012945 -0.655031 0.068934 0.046275 0.039736 -0.000891 0.010192 0.010108 -0.023223 -0.009292 -0.019777 0.010880 -0.028284 0.002176 0.180689 -0.093422 -0.096986 -0.025859 0.003174 0.001739 -0.041974 0.046612 -0.115187 -0.168657 -0.050249 -0.132239 0.047660 -0.007853 -0.026171 -0.171759 -0.084529 0.092860 0.003911 -0.004225 0.010809 0.010816 0.013611 0.013436 -0.051685 0.017600 -0.011497 -0.078944 -0.181781 -0.132318 -0.594461 -0.165011 0.403110 -0.036366 0.006049 0.114303 0.030344 0.008123 0.214732 -0.019121 0.014976 0.044108 -0.031642 0.028445 -0.132912 0.024326 -0.043488 0.002360 0.000036 -0.043052 -0.003475 -0.011440 -0.156915 -0.436168 0.014530 0.027810 -0.021581 -0.052015 -0.036545 -0.011850 0.552794 -0.302715 0.964100 0.024689 0.018464 0.045643 0.099579 -0.120170 -0.378948 0.011122 0.010543 0.039719 0.031746 0.069920 0.124903 -0.003427 -0.015180 -0.050689 0.017781 -0.031554 0.001462 -0.002961 0.038222 0.458953 0.027841 -0.011024 -0.019626 -0.112260 -0.009197 0.021506 -0.387755 0.109426 0.116336 0.014644 0.019242 -0.006593 -0.217299 -0.020819 0.588549 -0.029810 0.016738 -0.001269 -0.237408 -0.025967 -0.150284 0.036022 -0.007950 -0.003476 -0.032356 -0.036593 0.172873 0.101071 0.194767 -0.478498 -0.010949 -0.003432 -0.007663 -0.038919 0.047475 0.009602 0.304575 0.380489 1.296009 -0.014257 0.000527 -0.003009 0.249926 0.174739 -0.346524 0.021090 0.006571 0.008431 0.268655 -0.070730 -0.240293 -0.037715 0.027042 -0.023092 0.016062 -0.012753 0.003566 -0.139155 -0.032514 0.026126 -0.053193 0.010110 -0.010954 -0.014687 -0.004973 0.004078 0.039656 -0.017341 -0.044973 0.017448 -0.002076 -0.012556 -0.184613 0.066287 0.262280 -0.119241 -0.137153 -0.798758 0.007634 0.002767 -0.002583 0.254837 0.063925 0.001186 0.003058 -0.015016 0.015624 -0.099211 -0.126388 -0.071313 0.090623 -0.031806 0.044022 0.020647 -0.025781 -0.067690 -0.237467 -0.047807 0.280261 0.006329 -0.005909 -0.061170 0.101346 0.055098 -0.275435 -0.025043 -0.012732 0.005790 0.002222 -0.026823 0.006274 -0.001506 -0.006849 -0.014098 0.186807 0.089352 0.303890 0.130889 0.196461 -0.103144 0.081128 0.127268 -0.073006 -0.022698 0.024662 0.022142 0.015880 0.005518 -0.011232 -0.023749 0.008421 -0.033165 0.000597 0.026402 -0.004972 -0.018077 0.029651 -0.013097 -0.008804 0.026744 0.006544 0.160205 0.008870 -0.589391 0.025763 -0.012998 -0.654765 0.068605 0.046153 0.038638 -0.000963 0.008055 0.009096 -0.021890 -0.007766 -0.016231 0.009556 -0.024391 0.001983 0.180902 -0.093184 -0.096297 -0.023285 0.002556 0.001304 -0.042659 0.046463 -0.114353 -0.168723 -0.050366 -0.131667 0.045936 -0.006135 -0.022778 -0.170740 -0.084291 0.094690 0.003618 -0.005303 0.009814 0.010709 0.009183 0.009697 -0.046065 0.020378 -0.010154 -0.079079 -0.180737 -0.132251 -0.593370 -0.165504 0.402799 -0.032143 0.007547 0.102841 0.029747 0.010343 0.214691 -0.016994 0.014646 0.041603 -0.031345 0.028033 -0.133070 0.022722 -0.044354 0.001936 0.003499 -0.039830 -0.002696 -0.015243 -0.157212 -0.433663 0.011761 0.025669 -0.024499 -0.043293 -0.029906 -0.013162 0.552642 -0.303159 0.962523 0.021112 0.016509 0.041479 0.099900 -0.120791 -0.378237 0.010354 0.012787 0.037448 0.031382 0.070048 0.125622 -0.003446 -0.012183 -0.046140 0.010728 -0.026613 0.003694 0.000911 0.038131 0.457438 0.032740 -0.009767 -0.017844 -0.090182 -0.011151 0.021224 -0.387968 0.109270 0.118077 0.014752 0.013672 -0.010239 -0.217134 -0.022976 0.587606 -0.028688 0.014523 -0.003382 -0.237187 -0.025806 -0.150120 0.032943 -0.004249 -0.002859 -0.007064 -0.042260 0.095950 0.099599 0.194742 -0.478384 -0.011334 -0.002879 -0.006430 -0.034008 0.044400 0.008047 0.304943 0.380233 1.294631 -0.014233 0.000890 -0.001124 0.249694 0.175170 -0.345414 0.019852 0.005263 0.008226 0.268343 -0.071066 -0.239794 -0.035976 0.025128 -0.022177 0.014159 -0.015683 0.004297 -0.137622 -0.032567 0.026475 -0.048230 0.010010 -0.009728 -0.016900 -0.002418 0.004201 0.038936 -0.016835 -0.049828 0.017918 -0.003159 -0.014617 -0.185758 0.066694 0.261702 -0.121353 -0.136910 -0.799443 0.006963 0.002618 -0.001879 0.230676 0.054976 0.007912 0.003146 -0.013120 0.016596 -0.099460 -0.126737 -0.072085 0.077823 -0.024253 0.043284 0.019788 -0.024771 -0.063207 -0.238547 -0.047723 0.279794 0.006580 -0.005350 -0.057628 0.102342 0.055833 -0.275316 -0.025886 -0.010534 0.005197 0.000753 -0.025197 0.005297 -0.001875 -0.006872 -0.016149 0.187626 0.089983 0.303979 0.129679 0.196581 -0.104946 0.081489 0.127612 -0.075726 -0.021358 0.023079 0.021709 0.016622 0.004869 -0.012104 -0.022848 0.009063 -0.036126 0.002347 0.026374 -0.002486 -0.017429 0.030275 -0.012719 -0.008492 0.025784 0.006097 0.160022 0.009094 -0.589747 0.025517 -0.012763 -0.655668 0.069142 0.046553 0.038661 -0.001101 0.008822 0.009358 -0.020819 -0.008877 -0.018411 0.008303 -0.025932 0.000309 0.181330 -0.093162 -0.096408 -0.022771 0.002089 0.001612 -0.042523 0.046667 -0.115272 -0.169107 -0.050149 -0.132078 0.044711 -0.006767 -0.023594 -0.170886 -0.084370 0.094720 0.002981 -0.004214 0.010339 0.010160 0.009013 0.013738 -0.042723 0.022293 -0.009984 -0.079947 -0.181061 -0.133577 -0.594757 -0.165229 0.401814 -0.031603 0.003755 0.099548 0.029472 0.008285 0.214476 -0.016171 0.018359 0.037538 -0.031234 0.028505 -0.133136 0.021618 -0.038129 0.000181 0.001360 -0.034929 -0.005715 -0.017918 -0.157275 -0.436108 0.015372 0.024159 -0.015230 -0.033819 -0.033718 -0.014619 0.553348 -0.302646 0.965157 0.020697 0.017131 0.042175 0.099750 -0.120759 -0.379109 0.009191 0.007716 0.034706 0.030761 0.069462 0.125831 -0.002338 -0.013303 -0.044982 0.014695 -0.033505 -0.000142 0.002872 0.038322 0.457922 0.024702 -0.009980 -0.016033 -0.068887 -0.006830 0.025542 -0.388902 0.109444 0.116373 0.013030 0.017757 -0.008977 -0.217339 -0.020530 0.586870 -0.027272 0.012483 0.000541 -0.237225 -0.025861 -0.150122 0.031195 -0.008118 -0.002241 -0.000439 -0.042758 0.110895 0.095730 0.195168 -0.478788 -0.007791 -0.002562 -0.005836 -0.039210 0.041345 0.008111 0.306080 0.379924 1.295276 -0.013256 0.000623 -0.005240 0.249522 0.175481 -0.345691 0.018743 0.005648 0.006425 0.267878 -0.070065 -0.239672 -0.033371 0.022360 -0.020497 0.012655 -0.007080 0.003144 -0.134171 -0.032391 0.026318 -0.045766 0.009679 -0.010417 -0.009177 -0.009456 0.002405 0.040643 -0.017550 -0.056773 0.017020 -0.004009 -0.016390 -0.185337 0.066605 0.261576 -0.124931 -0.136755 -0.799989 0.006444 0.001275 -0.001199 0.178213 0.028768 0.005842 0.006752 -0.011710 0.018614 -0.099229 -0.127953 -0.073305 0.055163 -0.009246 0.039109 0.019295 -0.021769 -0.056152 -0.238109 -0.047645 0.279886 0.006412 -0.004632 -0.049779 0.103621 0.056539 -0.274437 -0.023925 -0.011164 0.002189 -0.001121 -0.023361 0.005234 -0.000642 -0.007329 -0.018570 0.187680 0.090041 0.303490 0.129537 0.197141 -0.104106 0.082470 0.127757 -0.078523 -0.016825 0.021135 0.023322 0.018466 0.005714 -0.014607 -0.020030 0.009976 -0.038571 0.001554 0.025456 0.004094 -0.012221 0.032935 -0.010301 -0.006632 0.023879 0.004904 0.160085 0.009023 -0.590217 0.025358 -0.012846 -0.655650 0.071755 0.047158 0.039164 -0.001293 0.009494 0.009204 -0.021593 -0.011120 -0.020480 0.007662 -0.026616 -0.001713 0.181531 -0.093678 -0.096046 -0.020969 -0.000248 0.001972 -0.041988 0.046646 -0.115957 -0.168828 -0.050292 -0.132229 0.045613 -0.006846 -0.025601 -0.170301 -0.085060 0.096484 0.002881 -0.003859 0.011596 0.010494 0.006724 0.019838 -0.034063 0.027704 -0.007166 -0.080728 -0.182719 -0.134093 -0.591359 -0.165223 0.402006 -0.033501 0.001744 0.097541 0.028598 0.011632 0.215312 -0.015838 0.019887 0.036453 -0.031313 0.028312 -0.132203 0.023457 -0.038355 0.000967 0.006442 -0.036001 -0.009241 -0.016721 -0.157422 -0.435238 0.012393 0.022396 -0.020566 -0.019776 -0.025784 -0.013184 0.549832 -0.301988 0.963546 0.018002 0.018677 0.042960 0.100445 -0.120384 -0.379669 0.009786 0.006596 0.035645 0.031171 0.068660 0.125981 0.001189 -0.016863 -0.042388 0.008897 -0.036409 0.000326 0.002910 0.038211 0.458098 0.026301 -0.009229 -0.015666 -0.057450 0.007935 0.012796 -0.388963 0.109509 0.118702 0.012821 0.017218 -0.013456 -0.217041 -0.024263 0.587526 -0.027999 0.011852 0.003311 -0.237467 -0.025887 -0.149423 0.030801 -0.009568 -0.003364 -0.001644 -0.032063 0.116767 0.097132 0.195243 -0.477976 0.001321 -0.002427 -0.006422 -0.043287 0.039287 0.009661 0.307996 0.378385 1.298815 -0.012664 -0.003903 -0.005210 0.250444 0.175003 -0.345151 0.019673 0.006313 0.004115 0.268498 -0.069488 -0.239609 -0.029375 0.018311 -0.018298 0.009699 -0.007152 0.001741 -0.134816 -0.032460 0.026825 -0.041538 0.008312 -0.009913 -0.006942 -0.006176 0.003220 0.043120 -0.019121 -0.071091 0.020539 -0.004023 -0.018759 -0.186432 0.067002 0.261144 -0.131872 -0.136363 -0.802130 0.003361 0.001784 -0.000199 0.100595 -0.014184 -0.001416 0.010070 -0.005653 0.028148 -0.099211 -0.130141 -0.076133 0.004831 0.018806 0.030671 0.019553 -0.016240 -0.039214 -0.238990 -0.047603 0.279870 0.006059 -0.003098 -0.032412 0.106605 0.058238 -0.272716 -0.021325 -0.008264 -0.002659 -0.005598 -0.018172 0.004614 0.001080 -0.007583 -0.024279 0.189225 0.090686 0.303659 0.127904 0.197630 -0.104983 0.083883 0.128274 -0.085597 -0.009610 0.016185 0.024628 0.023245 0.006170 -0.019397 -0.014447 0.011221 -0.043592 0.003783 0.017902 0.014277 -0.003934 0.039134 -0.006635 -0.003783 0.020083 0.003185 0.160030 0.009046 -0.591274 0.025136 -0.012698 -0.656180 0.075552 0.048336 0.040903 -0.000879 0.011453 0.009531 -0.022333 -0.015823 -0.024708 0.005798 -0.028957 -0.005261 0.182494 -0.093948 -0.095305 -0.018362 -0.003653 0.003501 -0.041474 0.046768 -0.117404 -0.169085 -0.050286 -0.132340 0.043596 -0.006969 -0.030137 -0.169078 -0.086182 0.099043 0.001679 -0.003222 0.013617 0.012005 0.003468 0.029592 -0.019849 0.031012 -0.002385 -0.082635 -0.184668 -0.136010 -0.590176 -0.164922 0.398969 -0.037159 0.001382 0.092388 0.026551 0.011846 0.214489 -0.017118 0.028730 0.031170 -0.030874 0.028723 -0.131400 0.028020 -0.036898 0.001519 0.018371 -0.037913 -0.014944 -0.020352 -0.157661 -0.439443 0.009134 0.018776 -0.023386 0.004853 -0.005441 -0.013217 0.547558 -0.300130 0.960850 0.011303 0.020123 0.045085 0.101378 -0.119877 -0.382640 0.010723 0.013993 0.040051 0.030516 0.066660 0.126293 0.007342 -0.022618 -0.036635 -0.002546 -0.045836 0.000183 0.007342 0.038219 0.458240 0.033217 -0.009264 -0.013669 -0.028736 0.023829 -0.004180 -0.390047 0.109368 0.118792 0.011611 0.016190 -0.016463 -0.217042 -0.024867 0.586243 -0.032537 0.006744 0.008955 -0.237299 -0.026300 -0.148614 0.028413 -0.010685 -0.002804 -0.001515 -0.026005 0.122024 0.092953 0.195690 -0.477792 0.021563 -0.000312 -0.006732 -0.050365 0.030840 0.013327 0.312052 0.375292 1.302857 -0.011428 -0.006437 0.006193 0.251976 0.174856 -0.346094 0.020809 0.007765 0.001272 0.268421 -0.067412 -0.239578 -0.021211 0.007822 -0.014201 -0.000206 -0.015648 0.005666 -0.129942 -0.032449 0.027132 -0.036072 0.007942 -0.006972 -0.000726 -0.000466 0.002899 0.051821 -0.024371 -0.107871 0.019827 -0.000646 -0.027841 -0.185682 0.067192 0.260629 -0.145190 -0.136138 -0.804318 -0.001932 0.002889 0.003903 -0.084745 -0.111076 -0.011121 0.016465 0.001133 0.034971 -0.099037 -0.134650 -0.081720 -0.094835 0.071198 0.013405 0.016338 -0.002887 -0.006299 -0.238049 -0.047756 0.280214 0.007418 -0.000765 0.000031 0.112956 0.060488 -0.268577 -0.021195 0.000699 -0.009519 -0.013558 -0.010516 0.004137 0.004945 -0.009949 -0.035617 0.189757 0.091649 0.303991 0.125236 0.199081 -0.101917 0.086549 0.128977 -0.096992 0.007953 0.008233 0.029718 0.031952 0.009869 -0.026261 -0.003463 0.014730 -0.053588 -0.010578 0.005772 0.038148 0.013243 0.049916 0.001299 0.002822 0.013123 -0.001079 0.159976 0.008884 -0.594723 0.024465 -0.013025 -0.656727 0.083709 0.050222 0.044704 -0.000658 0.014306 0.011003 -0.024999 -0.024747 -0.032331 0.003006 -0.033451 -0.013058 0.183190 -0.095276 -0.093761 -0.012404 -0.011790 0.007564 -0.039650 0.046522 -0.119856 -0.168814 -0.050658 -0.132921 0.036769 -0.006427 -0.037567 -0.165911 -0.088664 0.105499 -0.000739 -0.004032 0.014353 0.015778 -0.001574 0.049324 0.006180 0.037154 0.011260 -0.085964 -0.189489 -0.137874 -0.586997 -0.165152 0.393574 -0.041083 -0.006105 0.079594 0.023388 0.013426 0.212884 -0.016139 0.044223 0.025967 -0.031320 0.028976 -0.129276 0.036821 -0.037458 0.002763 0.040239 -0.036829 -0.026809 -0.016454 -0.158033 -0.446480 -0.002462 0.010268 -0.030251 0.056102 0.018125 -0.015935 0.543445 -0.298102 0.953572 -0.000638 0.026399 0.048668 0.103769 -0.118565 -0.388150 0.017776 0.025758 0.047443 0.031662 0.062338 0.124591 0.021237 -0.036785 -0.030066 -0.019131 -0.066610 -0.003750 0.006168 0.037874 0.459677 0.052568 -0.013736 -0.011570 0.031532 0.051478 -0.034491 -0.391911 0.109265 0.123424 0.012880 0.015348 -0.029335 -0.216600 -0.027952 0.583915 -0.036029 0.002619 0.021477 -0.238127 -0.027349 -0.148120 0.020434 -0.006610 -0.005154 0.017133 0.013062 0.152214 0.095748 0.195736 -0.477179 0.058251 0.004655 -0.007124 -0.067392 0.016665 0.021242 0.321123 0.369445 1.313728 -0.005860 -0.015542 0.023241 0.255260 0.173316 -0.347573 0.021579 0.012882 -0.010216 0.270256 -0.063820 -0.240688 -0.007999 -0.010165 -0.005388 -0.021993 -0.021470 0.006950 -0.130201 -0.032763 0.026899 -0.014029 0.003167 -0.004140 0.004043 0.023865 0.007259 -0.054196 0.018756 0.253677 0.012196 -0.009213 -0.022658 -0.184660 0.067202 0.259963 -0.148232 -0.135636 -0.808650 0.003274 -0.003550 0.006511 -0.066062 -0.075925 -0.000862 0.015878 0.007973 0.022454 -0.098242 -0.135416 -0.084097 -0.061852 0.029800 -0.000005 0.013967 0.004288 0.008524 -0.237036 -0.047219 0.279541 0.007075 -0.002462 0.021790 0.114249 0.061637 -0.267154 -0.040584 -0.002294 0.005173 -0.010176 -0.007671 0.001523 0.004248 -0.004027 -0.023205 0.189152 0.091988 0.303094 0.124781 0.199249 -0.107664 0.085853 0.128644 -0.097327 0.009713 0.008699 0.020718 0.028210 0.010858 -0.014360 -0.008905 0.015532 -0.050271 -0.012006 0.017868 0.042994 0.016958 0.045497 0.005455 0.001041 0.003606 -0.006126 0.159928 0.008858 -0.596109 0.024127 -0.012846 -0.658128 0.086165 0.051613 0.043774 -0.003747 0.015092 0.010805 -0.016321 -0.018474 -0.025897 0.001953 -0.024233 -0.011175 0.182724 -0.095420 -0.093424 -0.011786 -0.007170 0.004956 -0.039334 0.046724 -0.121016 -0.168753 -0.050507 -0.134000 0.027797 -0.003134 -0.033939 -0.165564 -0.089353 0.103853 -0.000477 -0.002361 0.006365 0.025849 0.002867 0.054342 0.001601 0.030427 0.009291 -0.087089 -0.189018 -0.134847 -0.583642 -0.165929 0.391188 -0.023755 -0.009916 0.049463 0.023468 0.015492 0.216020 -0.006387 0.033446 0.010687 -0.031701 0.029105 -0.129492 0.029588 -0.023439 0.001728 0.029209 -0.030911 -0.028124 -0.013716 -0.157967 -0.447401 -0.008481 0.001852 -0.021920 0.038567 0.005392 -0.013971 0.541186 -0.298885 0.949849 -0.000441 0.018843 0.032431 0.104725 -0.117946 -0.389227 0.015058 0.022514 0.039211 0.031342 0.062184 0.123905 0.013518 -0.017097 -0.017137 -0.015180 -0.072805 -0.004257 0.003877 0.038094 0.458766 0.046682 -0.014797 -0.006338 0.034743 0.029052 -0.027096 -0.390742 0.108807 0.126894 0.013786 0.015431 -0.033373 -0.216561 -0.029541 0.582573 -0.030280 -0.000230 0.017568 -0.238612 -0.027220 -0.148312 0.013018 -0.002380 -0.003281 0.140587 -0.052107 -0.216556 0.097705 0.196247 -0.477109 0.051405 0.008860 -0.002648 -0.070331 0.005055 0.015201 0.317186 0.371371 1.317388 -0.007301 -0.010811 0.016776 0.256583 0.172445 -0.347134 0.018502 0.011982 -0.012160 0.270390 -0.063054 -0.241626 -0.009633 -0.002074 0.000945 -0.023100 -0.002251 0.007405 -0.131954 -0.032544 0.027081 -0.023260 0.008740 0.001360 0.012239 0.025742 0.006836 -0.080733 0.029547 0.339080 0.010892 -0.010737 -0.020357 -0.185016 0.067390 0.259889 -0.148899 -0.135427 -0.809948 0.004087 -0.005220 0.006513 -0.057867 -0.066726 0.004277 0.015621 0.009487 0.019641 -0.098355 -0.135660 -0.084882 -0.055321 0.020634 -0.003663 0.011939 0.005763 0.014108 -0.237403 -0.047140 0.279492 0.006434 -0.002495 0.026980 0.113891 0.062152 -0.267103 -0.046083 -0.001695 0.007409 -0.009557 -0.006271 0.001353 0.003834 -0.002612 -0.019951 0.189150 0.091429 0.302593 0.124802 0.198518 -0.109403 0.085109 0.128629 -0.097680 0.010299 0.008466 0.019817 0.027032 0.010936 -0.011894 -0.010295 0.015701 -0.049854 -0.011671 0.021333 0.044221 0.017336 0.044407 0.006141 0.000446 0.001764 -0.007475 0.159574 0.008904 -0.596387 0.023650 -0.012723 -0.658196 0.086385 0.052204 0.042499 -0.004437 0.015370 0.011151 -0.013713 -0.016797 -0.025222 0.001419 -0.021939 -0.010839 0.182576 -0.095128 -0.093464 -0.012221 -0.005753 0.004211 -0.039711 0.046872 -0.121398 -0.169018 -0.050423 -0.134279 0.025387 -0.003069 -0.032506 -0.165569 -0.089469 0.103287 -0.000846 -0.002021 0.003775 0.026810 0.003941 0.055946 0.000395 0.025790 0.009654 -0.087555 -0.188367 -0.134315 -0.581517 -0.165955 0.390332 -0.022923 -0.012039 0.044954 0.023037 0.018008 0.215815 -0.005187 0.031343 0.007429 -0.031796 0.029404 -0.129302 0.029008 -0.021389 0.001253 0.025617 -0.029477 -0.029609 -0.013483 -0.157727 -0.445840 -0.007960 0.000859 -0.023563 0.038448 0.000376 -0.012647 0.538548 -0.298856 0.949522 -0.000017 0.017828 0.031528 0.104646 -0.117835 -0.389888 0.015247 0.021089 0.038736 0.030786 0.062855 0.123986 0.012209 -0.013758 -0.016280 -0.013003 -0.076492 -0.004705 0.003337 0.038210 0.458442 0.043589 -0.014826 -0.005458 0.043096 0.023457 -0.019576 -0.390601 0.108831 0.127265 0.014096 0.017717 -0.038314 -0.216757 -0.031754 0.581832 -0.030292 0.000660 0.017817 -0.238713 -0.027281 -0.148213 0.012303 -0.002337 -0.003426 0.172613 -0.067146 -0.302551 0.096265 0.196392 -0.476837 0.049213 0.009802 -0.002976 -0.073258 0.003449 0.014379 0.315913 0.371873 1.317604 -0.006962 -0.009632 0.014598 0.256468 0.172416 -0.347447 0.018592 0.012402 -0.014268 0.269901 -0.063417 -0.241575 -0.010450 -0.000892 0.001664 -0.024031 0.002995 0.007844 -0.130995 -0.032398 0.027106 -0.024818 0.009533 0.001495 0.017035 0.024148 0.005659 -0.134269 0.050964 0.514522 0.007918 -0.012164 -0.017475 -0.185342 0.067424 0.259568 -0.150616 -0.135396 -0.811593 0.005940 -0.007424 0.008433 -0.052021 -0.041632 0.006487 0.015158 0.011782 0.014346 -0.098085 -0.136128 -0.085939 -0.038810 0.002095 -0.009308 0.010740 0.007894 0.020572 -0.237757 -0.047055 0.279153 0.006980 -0.003775 0.036377 0.115466 0.062435 -0.266359 -0.054569 -0.003834 0.015754 -0.007764 -0.005465 -0.001033 0.003702 -0.000365 -0.014473 0.189572 0.092779 0.303103 0.123647 0.199133 -0.112734 0.084810 0.128377 -0.097904 0.011227 0.008463 0.014646 0.026596 0.010891 -0.006140 -0.012930 0.016030 -0.047974 -0.010086 0.025672 0.047005 0.019624 0.043110 0.007842 -0.000548 -0.002807 -0.009084 0.159846 0.008787 -0.596576 0.023884 -0.012734 -0.659204 0.087362 0.052644 0.043083 -0.006193 0.015509 0.011679 -0.010101 -0.013771 -0.022061 0.000741 -0.018942 -0.009637 0.182901 -0.095481 -0.093102 -0.012140 -0.003481 0.003374 -0.039220 0.046890 -0.122044 -0.169037 -0.050466 -0.134638 0.022129 -0.002292 -0.029975 -0.165139 -0.089947 0.102420 -0.000311 -0.000290 0.000049 0.031644 0.004196 0.058388 -0.003438 0.021986 0.009279 -0.088191 -0.187992 -0.133122 -0.585239 -0.166337 0.389425 -0.017674 -0.013023 0.032226 0.023180 0.014331 0.216807 -0.000676 0.030468 0.001338 -0.032101 0.029014 -0.129465 0.026342 -0.013985 0.002057 0.020755 -0.028018 -0.030214 -0.016091 -0.158137 -0.450273 -0.013033 -0.003916 -0.015895 0.029135 -0.002870 -0.014148 0.542865 -0.299559 0.946985 -0.001033 0.012605 0.028545 0.105382 -0.117512 -0.390844 0.013879 0.020630 0.035841 0.031100 0.060435 0.123623 0.008665 -0.004409 -0.008497 -0.008288 -0.076707 -0.005019 0.005681 0.038214 0.459018 0.042775 -0.014500 -0.003080 0.038839 0.015057 -0.024346 -0.390752 0.108560 0.127110 0.013347 0.016792 -0.038750 -0.217008 -0.028099 0.580864 -0.028563 -0.003529 0.017558 -0.239073 -0.026946 -0.148443 0.008353 -0.002073 -0.002194 0.238117 -0.101136 -0.491743 0.096888 0.196508 -0.477510 0.046913 0.012729 0.000473 -0.073777 -0.001011 0.012263 0.314954 0.372592 1.316920 -0.008018 -0.008015 0.014942 0.257253 0.171893 -0.347579 0.017622 0.011964 -0.012557 0.270276 -0.060942 -0.241841 -0.010323 0.002276 0.005727 -0.023206 0.007355 0.007461 -0.131628 -0.032408 0.026811 -0.029606 0.010701 0.005749 0.020445 0.025389 0.004949 -0.135715 0.051763 0.515703 0.005526 -0.014215 -0.014749 -0.184049 0.067246 0.259658 -0.150654 -0.135258 -0.812737 0.007225 -0.008789 0.008260 -0.038848 -0.033960 0.005049 0.015078 0.013578 0.011814 -0.097844 -0.136143 -0.086364 -0.028778 -0.008135 -0.012230 0.009849 0.009380 0.022951 -0.236511 -0.046796 0.279254 0.006286 -0.003970 0.041992 0.114989 0.062606 -0.265832 -0.054525 -0.003888 0.015570 -0.006573 -0.004763 -0.000571 0.003896 0.001179 -0.011478 0.188136 0.091956 0.302511 0.124085 0.198437 -0.112400 0.084136 0.128300 -0.096920 0.012169 0.008666 0.013207 0.025661 0.009471 -0.003867 -0.014254 0.016333 -0.046697 -0.010850 0.029818 0.048665 0.020896 0.042181 0.009613 -0.000768 -0.004860 -0.010646 0.159416 0.008800 -0.596993 0.023160 -0.012747 -0.658536 0.087589 0.053013 0.042229 -0.006892 0.015929 0.011791 -0.008053 -0.012248 -0.020135 0.000792 -0.015378 -0.009127 0.181780 -0.095570 -0.092867 -0.011913 -0.002213 0.002738 -0.039301 0.046945 -0.121869 -0.168935 -0.050451 -0.134728 0.020168 -0.002798 -0.028393 -0.165393 -0.090040 0.102753 -0.000152 0.000675 -0.001674 0.033861 0.005736 0.058650 -0.005604 0.022243 0.009556 -0.088609 -0.187796 -0.131530 -0.580109 -0.166770 0.388564 -0.013118 -0.013683 0.024058 0.022548 0.018777 0.217506 0.002531 0.024659 -0.001806 -0.032306 0.029447 -0.129234 0.024272 -0.012723 0.002847 0.017649 -0.027117 -0.029370 -0.010754 -0.157813 -0.447620 -0.014937 -0.006254 -0.021159 0.024498 -0.005986 -0.012774 0.537687 -0.299751 0.944940 -0.002422 0.011186 0.024109 0.105772 -0.117217 -0.390790 0.013513 0.020634 0.033632 0.030794 0.062632 0.122970 0.005860 0.000304 -0.005496 -0.007045 -0.076380 -0.003758 0.000482 0.038283 0.458175 0.043047 -0.014349 -0.001299 0.034305 0.008319 -0.023430 -0.390158 0.108522 0.129672 0.014322 0.016962 -0.042587 -0.217380 -0.032423 0.580408 -0.027417 -0.001584 0.015961 -0.239379 -0.027353 -0.148461 0.005976 0.000612 -0.002280 0.241548 -0.108595 -0.493978 0.099374 0.196638 -0.477117 0.042694 0.013344 0.000437 -0.074810 -0.003541 0.011706 0.313406 0.373064 1.318467 -0.008956 -0.006648 0.015395 0.257833 0.171540 -0.347232 0.015609 0.011734 -0.014924 0.270263 -0.063035 -0.242516 -0.010879 0.003718 0.006980 -0.023340 0.010195 0.007908 -0.134266 -0.032369 0.026961 -0.029939 0.011600 0.007823 0.022754 0.027187 0.005692 -0.143237 0.055185 0.526254 0.000501 -0.019858 -0.014276 -0.185596 0.067128 0.259909 -0.152474 -0.135573 -0.815921 0.011249 -0.014076 0.010389 -0.002300 -0.001365 -0.001808 0.013823 0.017973 0.004861 -0.097501 -0.136868 -0.087587 -0.004018 -0.038390 -0.020403 0.006595 0.013501 0.034976 -0.238019 -0.046996 0.279539 0.006347 -0.005384 0.056275 0.116369 0.062795 -0.264921 -0.052276 -0.003450 0.017902 -0.003195 -0.001330 -0.002371 0.003423 0.005897 0.000771 0.190433 0.091966 0.303105 0.123215 0.197730 -0.120156 0.082652 0.127718 -0.098682 0.013447 0.007439 0.005418 0.022234 0.008909 0.006971 -0.018072 0.015862 -0.041443 -0.005827 0.036139 0.051039 0.023788 0.040123 0.013333 -0.002195 -0.011654 -0.013025 0.159705 0.008331 -0.598169 0.023716 -0.012896 -0.659442 0.088742 0.053554 0.041795 -0.009775 0.016086 0.011538 -0.000697 -0.007640 -0.014597 -0.000735 -0.009316 -0.007050 0.182980 -0.095851 -0.091970 -0.011548 0.001677 0.000982 -0.039250 0.046727 -0.122321 -0.169206 -0.050737 -0.134842 0.015429 -0.003279 -0.024724 -0.164859 -0.090849 0.101087 0.000294 0.002534 -0.006357 0.043356 0.007023 0.060882 -0.012449 0.015487 0.009683 -0.089377 -0.187043 -0.130014 -0.582905 -0.167687 0.387048 0.001318 -0.011862 -0.000480 0.022353 0.016965 0.219497 0.009964 0.020261 -0.011710 -0.032017 0.029161 -0.128790 0.018665 -0.002247 0.004017 0.007015 -0.025353 -0.025734 -0.018429 -0.158652 -0.450532 -0.021058 -0.013290 -0.013401 0.002257 -0.010731 -0.009637 0.540972 -0.301010 0.941817 -0.005109 0.005105 0.010712 0.106908 -0.116956 -0.392180 0.010647 0.017497 0.026581 0.030234 0.063120 0.124183 0.001062 0.017087 0.010346 -0.002705 -0.068725 -0.004040 0.007698 0.038083 0.458829 0.038008 -0.013395 0.004841 0.021124 -0.007900 -0.032525 -0.389877 0.107440 0.131448 0.014249 0.014007 -0.042336 -0.217793 -0.030813 0.578998 -0.022812 -0.010091 0.012023 -0.239226 -0.027580 -0.147653 0.001842 0.002864 0.001623 0.236611 -0.115359 -0.517780 0.090882 0.196817 -0.477156 0.035231 0.016358 0.005518 -0.067740 -0.012435 0.004313 0.310861 0.374053 1.320261 -0.011549 -0.003963 0.016741 0.259050 0.170478 -0.346978 0.015437 0.011307 -0.012270 0.269916 -0.063943 -0.241537 -0.010738 0.008088 0.013096 -0.019436 0.015990 0.007616 -0.125802 -0.032629 0.027482 -0.035850 0.013550 0.014576 0.025048 0.029161 0.006545 -0.156385 0.061469 0.539495 -0.008656 -0.033673 -0.007925 -0.184424 0.066608 0.259495 -0.155794 -0.135648 -0.822296 0.020055 -0.023778 0.013653 0.075374 0.066766 -0.002586 0.012565 0.024573 -0.012182 -0.096148 -0.137670 -0.090718 0.050233 -0.103604 -0.040535 -0.000321 0.023938 0.054228 -0.236958 -0.046564 0.279148 0.005710 -0.007852 0.084174 0.118572 0.062990 -0.262484 -0.051829 -0.002910 0.022770 0.001757 0.003280 -0.005087 0.002836 0.014680 0.024028 0.189329 0.092776 0.302927 0.122086 0.196842 -0.128175 0.080221 0.126786 -0.097670 0.017640 0.007339 -0.008027 0.015110 0.009749 0.027313 -0.025727 0.015797 -0.032052 0.005338 0.050306 0.058182 0.032635 0.040401 0.021379 -0.004708 -0.025726 -0.019881 0.159630 0.007794 -0.598947 0.023103 -0.013167 -0.659937 0.091452 0.054941 0.040770 -0.014392 0.015819 0.011584 0.012173 0.001941 -0.003390 -0.001902 0.005692 -0.003363 0.182195 -0.096828 -0.090784 -0.010114 0.009191 -0.002585 -0.038458 0.046593 -0.123282 -0.169045 -0.051029 -0.135950 0.005346 -0.005235 -0.016618 -0.164199 -0.092177 0.098943 0.002373 0.007254 -0.018870 0.057747 0.013042 0.064658 -0.024359 0.001605 0.010315 -0.091345 -0.186043 -0.124812 -0.580804 -0.169851 0.383778 0.028805 -0.013088 -0.044569 0.021731 0.018905 0.223264 0.027394 0.006427 -0.033506 -0.032867 0.028669 -0.128633 0.007254 0.016447 0.005700 -0.014072 -0.018733 -0.017327 -0.015847 -0.159222 -0.454254 -0.036864 -0.028733 -0.005421 -0.039704 -0.025004 -0.002162 0.540700 -0.302918 0.932186 -0.007243 -0.007141 -0.012678 0.109161 -0.115336 -0.394754 0.008878 0.014116 0.013847 0.030527 0.062733 0.122795 -0.012060 0.053294 0.037114 0.010334 -0.062009 -0.006271 0.005212 0.037983 0.458547 0.033245 -0.013633 0.014721 -0.008539 -0.043941 -0.040667 -0.388489 0.106357 0.136665 0.012357 0.006005 -0.049140 -0.218335 -0.032638 0.575666 -0.014999 -0.018909 0.008126 -0.240288 -0.027648 -0.147852 -0.014186 0.013211 0.005353 0.226412 -0.143949 -0.550621 0.094621 0.196961 -0.477784 0.016595 0.024518 0.014448 -0.060396 -0.031796 -0.008129 0.304930 0.376192 1.318942 -0.017362 0.004716 0.021544 0.261623 0.167805 -0.346632 0.007930 0.007706 -0.008672 0.270732 -0.063557 -0.242927 -0.012178 0.013791 0.024745 -0.015739 0.041097 0.008030 -0.129598 -0.032815 0.027330 -0.044486 0.016050 0.025186 0.036900 0.031670 0.009104 -0.071300 0.029355 0.264698 -0.009603 -0.031119 -0.008820 -0.184118 0.066666 0.259542 -0.154813 -0.135894 -0.822048 0.019762 -0.023050 0.013426 0.075423 0.053981 -0.007001 0.011756 0.024649 -0.013377 -0.096348 -0.137069 -0.090219 0.048603 -0.094408 -0.036744 0.000425 0.022613 0.050953 -0.236570 -0.046386 0.279368 0.005009 -0.007422 0.081943 0.117772 0.063009 -0.261217 -0.034974 0.001599 0.012027 0.000441 0.004007 -0.003748 0.002069 0.015649 0.024414 0.188965 0.091810 0.302568 0.122697 0.196811 -0.127502 0.080439 0.127188 -0.097708 0.016925 0.006331 -0.007395 0.012595 0.009490 0.027368 -0.023461 0.015523 -0.031140 0.004697 0.050916 0.058188 0.032350 0.041011 0.021359 -0.004210 -0.025049 -0.019673 0.159354 0.008009 -0.599977 0.022931 -0.013072 -0.660302 0.090870 0.054954 0.040223 -0.013916 0.015788 0.010763 0.013410 0.001507 -0.001778 -0.001910 0.007034 -0.003316 0.181796 -0.096382 -0.090893 -0.008812 0.008853 -0.002789 -0.039043 0.046626 -0.122858 -0.169238 -0.050785 -0.135890 0.005353 -0.006006 -0.016505 -0.164516 -0.091636 0.099482 0.001940 0.007798 -0.018449 0.058088 0.011387 0.062404 -0.023556 0.001550 0.010465 -0.091444 -0.186120 -0.125119 -0.577280 -0.170031 0.383073 0.027443 -0.014909 -0.044723 0.021640 0.022337 0.222733 0.028110 0.003670 -0.031325 -0.033315 0.028873 -0.128669 0.006507 0.017443 0.004503 -0.014848 -0.018934 -0.015300 -0.014100 -0.158656 -0.451136 -0.034839 -0.028221 -0.010807 -0.034632 -0.030484 0.000635 0.536668 -0.302805 0.933812 -0.008959 -0.006659 -0.015136 0.108864 -0.115610 -0.394763 0.008283 0.011348 0.013514 0.030335 0.062941 0.122484 -0.011147 0.049073 0.036661 0.010446 -0.067313 -0.004815 0.003430 0.038185 0.457561 0.029480 -0.013039 0.014704 -0.000269 -0.043420 -0.034095 -0.388740 0.106343 0.135994 0.012413 0.007499 -0.047532 -0.218111 -0.035826 0.575497 -0.014555 -0.015513 0.006792 -0.240616 -0.027672 -0.148246 -0.014658 0.012249 0.004754 0.130517 -0.112009 -0.262360 0.094514 0.197002 -0.477337 0.020316 0.023537 0.012939 -0.063278 -0.029554 -0.006501 0.304597 0.375657 1.322215 -0.016322 0.003786 0.016125 0.261041 0.168389 -0.346401 0.005552 0.009966 -0.011519 0.270573 -0.063567 -0.243074 -0.012027 0.012739 0.023598 -0.018166 0.046567 0.009771 -0.129735 -0.032668 0.027273 -0.048666 0.015764 0.024753 0.037695 0.033807 0.009627 0.047557 -0.016163 -0.109447 -0.009557 -0.028884 -0.008637 -0.183496 0.066642 0.259354 -0.154369 -0.136478 -0.821062 0.019813 -0.022754 0.013432 0.071771 0.038066 -0.017863 0.011531 0.024182 -0.014727 -0.095904 -0.135854 -0.089841 0.047417 -0.081887 -0.033519 0.001746 0.021814 0.048956 -0.235878 -0.046344 0.279393 0.006254 -0.006832 0.078699 0.118925 0.061458 -0.259964 -0.008679 0.009468 -0.003853 -0.000336 0.003827 -0.003974 0.002123 0.016590 0.025836 0.187594 0.093203 0.303645 0.121549 0.197739 -0.125228 0.080454 0.127544 -0.096823 0.017661 0.006080 -0.009243 0.010606 0.007432 0.027025 -0.020309 0.015164 -0.029596 0.004166 0.050941 0.058300 0.032818 0.042141 0.021850 -0.003423 -0.024273 -0.019389 0.159190 0.008150 -0.599640 0.022514 -0.013151 -0.660214 0.090235 0.054651 0.041617 -0.013478 0.015223 0.010834 0.012990 0.001266 -0.000466 -0.001917 0.006919 -0.002670 0.181012 -0.097037 -0.090524 -0.007107 0.008413 -0.002910 -0.038440 0.046518 -0.122375 -0.169245 -0.050669 -0.136317 0.004332 -0.008570 -0.015130 -0.164554 -0.091235 0.100347 0.001355 0.008208 -0.017588 0.057783 0.008319 0.059619 -0.022362 0.000848 0.012026 -0.092277 -0.187090 -0.125074 -0.581364 -0.170207 0.383486 0.025823 -0.014830 -0.043791 0.022012 0.017767 0.222033 0.028516 0.005096 -0.029092 -0.034057 0.028375 -0.128916 0.004540 0.016608 0.005036 -0.015402 -0.015045 -0.012607 -0.011210 -0.158454 -0.455306 -0.035391 -0.026038 -0.006001 -0.030114 -0.036296 -0.001901 0.541086 -0.302415 0.931813 -0.009837 -0.007278 -0.014749 0.108815 -0.115720 -0.395244 0.007217 0.011989 0.011790 0.031077 0.061592 0.121394 -0.009587 0.046460 0.035546 0.010828 -0.067302 -0.004027 -0.000017 0.038387 0.458398 0.030026 -0.011702 0.012513 0.005380 -0.037754 -0.030974 -0.389595 0.106046 0.137588 0.011761 0.008899 -0.051082 -0.217858 -0.031163 0.575316 -0.013144 -0.017055 0.005551 -0.241292 -0.027147 -0.148764 -0.015538 0.012884 0.004137 -0.018509 -0.063298 0.140780 0.099606 0.196724 -0.477761 0.019516 0.020575 0.011692 -0.062470 -0.025136 -0.006450 0.305291 0.374498 1.320191 -0.015625 0.002227 0.014214 0.260582 0.168708 -0.345718 0.002429 0.008938 -0.012812 0.271126 -0.062257 -0.243668 -0.011174 0.007479 0.022356 -0.018086 0.048750 0.009917 -0.134897 -0.032815 0.027001 -0.047516 0.014050 0.023301 0.036990 0.032273 0.009952 0.047261 -0.017169 -0.109556 -0.008704 -0.026928 -0.008876 -0.183350 0.066543 0.259600 -0.153034 -0.136845 -0.819910 0.018747 -0.020491 0.013058 0.059092 0.025413 -0.020046 0.010986 0.022622 -0.013321 -0.095714 -0.134817 -0.088874 0.039952 -0.065832 -0.028258 0.003121 0.019401 0.044239 -0.235606 -0.046226 0.279837 0.006656 -0.006471 0.071731 0.118724 0.060630 -0.259247 -0.007943 0.010227 -0.004248 -0.001268 0.004111 -0.002912 0.002490 0.017020 0.024042 0.187743 0.092879 0.303814 0.122118 0.197478 -0.123907 0.080596 0.127908 -0.097062 0.017425 0.004679 -0.007701 0.009011 0.005971 0.024939 -0.015985 0.014248 -0.027222 0.003809 0.047421 0.058089 0.032806 0.042419 0.021272 -0.002438 -0.021703 -0.017998 0.159275 0.008232 -0.599488 0.022665 -0.013065 -0.659957 0.089730 0.054428 0.041844 -0.012676 0.014947 0.010106 0.012759 0.000313 0.000061 -0.001259 0.006011 -0.002888 0.181214 -0.096893 -0.090266 -0.005900 0.007260 -0.003068 -0.038564 0.046507 -0.121675 -0.169105 -0.050592 -0.136127 0.006270 -0.009437 -0.014872 -0.164358 -0.090923 0.101118 0.001624 0.008141 -0.015859 0.057360 0.004560 0.057202 -0.020325 0.001326 0.012523 -0.092099 -0.187565 -0.125635 -0.579548 -0.170417 0.383722 0.022891 -0.011831 -0.040726 0.022398 0.019078 0.221207 0.027990 0.003034 -0.025538 -0.033819 0.028448 -0.128858 0.003123 0.014760 0.005031 -0.013073 -0.012942 -0.009858 -0.009447 -0.158332 -0.454075 -0.031705 -0.023482 -0.009165 -0.024570 -0.034314 -0.000307 0.539431 -0.301868 0.931927 -0.011528 -0.006433 -0.017361 0.108653 -0.115822 -0.395641 0.006262 0.011916 0.010065 0.031024 0.061513 0.121730 -0.007204 0.043148 0.033297 0.008746 -0.063701 -0.004051 -0.001363 0.038464 0.458023 0.026042 -0.010380 0.012167 0.004341 -0.034240 -0.033357 -0.389660 0.105759 0.137997 0.010214 0.007523 -0.047208 -0.217159 -0.032223 0.575072 -0.011174 -0.015184 0.002965 -0.241094 -0.027170 -0.148491 -0.015515 0.013178 0.002819 -0.019087 -0.059968 0.150594 0.099976 0.196754 -0.477451 0.019490 0.017195 0.009365 -0.058275 -0.022570 -0.006404 0.306045 0.373357 1.318618 -0.013623 0.001679 0.013841 0.260179 0.169135 -0.345531 0.000438 0.009377 -0.012891 0.271170 -0.062215 -0.243510 -0.009300 0.001148 0.019441 -0.018004 0.046172 0.009503 -0.134899 -0.032851 0.027389 -0.043612 0.013634 0.021247 0.032147 0.034936 0.009902 0.045803 -0.020073 -0.109691 -0.005892 -0.022492 -0.012000 -0.182962 0.065927 0.259069 -0.149735 -0.138527 -0.816728 0.015837 -0.014182 0.012742 0.023485 -0.005392 -0.021006 0.010162 0.019513 -0.010629 -0.095231 -0.131295 -0.085812 0.017810 -0.014033 -0.010996 0.008979 0.011580 0.034347 -0.234873 -0.045745 0.280055 0.005765 -0.003909 0.049528 0.118009 0.057060 -0.257916 -0.006137 0.012294 -0.006619 -0.004959 0.003939 -0.000914 0.002848 0.018203 0.017567 0.187323 0.093032 0.303653 0.122891 0.198418 -0.119316 0.080666 0.129177 -0.098193 0.016811 0.000953 -0.004519 0.004337 0.002553 0.018093 -0.004529 0.012890 -0.024695 0.006928 0.039361 0.056524 0.031464 0.045682 0.018983 0.001185 -0.015388 -0.014723 0.159057 0.008495 -0.600437 0.022932 -0.013104 -0.660288 0.087667 0.053319 0.043004 -0.010678 0.014527 0.010709 0.009308 -0.003825 0.000943 -0.000687 0.002010 -0.004654 0.180867 -0.097042 -0.090645 -0.001083 0.003066 -0.003114 -0.039167 0.046204 -0.120227 -0.169277 -0.050284 -0.137095 0.007651 -0.011301 -0.013417 -0.164337 -0.089381 0.103766 0.002115 0.007994 -0.010161 0.053886 -0.006181 0.046339 -0.014458 -0.000143 0.012064 -0.092716 -0.189683 -0.128323 -0.576633 -0.170336 0.386336 0.015449 -0.010382 -0.025403 0.022225 0.020957 0.219904 0.025582 0.004958 -0.013036 -0.033676 0.027494 -0.129637 0.000975 0.008201 0.008806 -0.008473 -0.006329 -0.007976 -0.010973 -0.158187 -0.452235 -0.032398 -0.017925 -0.012494 -0.005908 -0.032933 -0.002745 0.536504 -0.300406 0.931428 -0.014868 -0.002439 -0.012350 0.108141 -0.116154 -0.395567 0.006477 0.013050 0.009335 0.030413 0.059473 0.121791 -0.000849 0.030038 0.027182 0.004944 -0.061733 -0.000899 0.000112 0.038787 0.455643 0.028131 -0.008898 0.011923 0.018249 -0.018512 -0.033621 -0.390563 0.104868 0.141167 0.008893 0.009584 -0.050139 -0.216514 -0.033739 0.575979 -0.011398 -0.015467 0.003372 -0.241148 -0.026246 -0.148623 -0.014550 0.014041 0.003388 -0.015024 -0.042446 0.153947 0.101246 0.196647 -0.477367 0.024278 0.010299 0.005881 -0.057949 -0.016242 -0.004851 0.307889 0.369630 1.317573 -0.010228 -0.001938 0.010882 0.259066 0.170257 -0.343607 -0.002731 0.010341 -0.013104 0.270870 -0.060408 -0.243861 -0.007007 -0.014040 0.015324 -0.018152 0.046775 0.008526 -0.136136 -0.033109 0.027673 -0.038568 0.008161 0.016727 0.027238 0.030090 0.009460 0.043681 -0.026358 -0.110856 0.002355 -0.011380 -0.017510 -0.183171 0.065675 0.257927 -0.143501 -0.141596 -0.809252 0.010998 -0.004791 0.012060 -0.059716 -0.062581 -0.020865 0.007678 0.011371 -0.002970 -0.094344 -0.124406 -0.080699 -0.029743 0.081385 0.021343 0.016368 -0.002498 0.011478 -0.234392 -0.045515 0.280255 0.006688 0.000208 0.005002 0.119175 0.050379 -0.254301 -0.001813 0.015979 -0.009086 -0.012994 0.003668 0.000714 0.003052 0.021533 0.005167 0.187400 0.094561 0.305335 0.122155 0.200327 -0.111580 0.081648 0.131685 -0.101002 0.014387 -0.005998 -0.000939 -0.003459 -0.005460 0.004924 0.018382 0.009717 -0.017751 0.013690 0.020289 0.052933 0.028336 0.051854 0.013556 0.007640 -0.002497 -0.007938 0.158985 0.009161 -0.602670 0.023307 -0.013027 -0.661348 0.083093 0.051408 0.046927 -0.007118 0.013046 0.010965 0.004935 -0.010786 0.002110 0.001226 -0.006621 -0.006412 0.180849 -0.097696 -0.091121 0.007965 -0.003699 -0.002742 -0.039149 0.045761 -0.118107 -0.169741 -0.049668 -0.138858 0.013960 -0.016306 -0.012094 -0.164366 -0.086742 0.108133 0.001907 0.008748 0.001421 0.045893 -0.028968 0.029433 -0.003239 -0.005044 0.009826 -0.094022 -0.193997 -0.133619 -0.583187 -0.170524 0.390692 -0.005481 0.001752 0.009208 0.023440 0.014333 0.215123 0.019428 0.009536 0.014211 -0.033958 0.026137 -0.131208 -0.003733 -0.002013 0.012925 0.000312 0.005311 0.000426 -0.012068 -0.157480 -0.457153 -0.018573 0.001815 -0.009046 0.037084 -0.017532 -0.006581 0.543192 -0.296684 0.933044 -0.019843 0.006237 -0.006019 0.107239 -0.117624 -0.396339 0.003361 0.012843 0.005973 0.030368 0.058576 0.121514 0.012729 -0.001757 0.010689 -0.000437 -0.053079 0.004894 0.000104 0.039598 0.455228 0.019252 -0.005923 0.006141 0.034830 0.019298 -0.033667 -0.393844 0.103132 0.143461 0.002040 0.012399 -0.036370 -0.214472 -0.026347 0.577627 -0.007740 -0.016188 0.002038 -0.241251 -0.024750 -0.149262 -0.010485 0.010258 0.001407 -0.002137 -0.013571 0.161194 0.099430 0.196172 -0.477917 0.035853 -0.011018 -0.004212 -0.050817 0.000019 -0.002177 0.313510 0.362031 1.316985 -0.002001 -0.009732 0.003151 0.255589 0.173419 -0.339914 -0.009849 0.011062 -0.010505 0.270722 -0.060011 -0.243942 -0.000277 -0.044634 0.004747 -0.012698 0.039666 0.006099 -0.134061 -0.033688 0.027749 -0.027829 -0.003886 0.005045 0.011274 0.021723 0.006947 0.040186 -0.038971 -0.116561 0.013768 0.005640 -0.024264 -0.182434 0.064840 0.256784 -0.130209 -0.147144 -0.795721 0.001860 0.016083 0.010014 -0.203591 -0.190384 -0.022035 -0.000298 -0.001176 0.010531 -0.092402 -0.111354 -0.070534 -0.123383 0.268565 0.093256 0.035444 -0.032205 -0.038491 -0.232409 -0.045250 0.281594 0.006886 0.008005 -0.083022 0.118741 0.037319 -0.247820 0.005536 0.023310 -0.016233 -0.027885 0.002577 0.007270 0.004451 0.026085 -0.017794 0.185972 0.094228 0.307023 0.123547 0.201985 -0.094115 0.082431 0.136348 -0.105314 0.010713 -0.020725 0.009824 -0.020594 -0.020631 -0.020968 0.063118 0.004034 -0.002138 0.021449 -0.016162 0.047579 0.022243 0.064563 0.004378 0.020571 0.023738 0.003593 0.158152 0.010193 -0.605924 0.023258 -0.013043 -0.660446 0.074814 0.048369 0.050975 0.000127 0.010080 0.012323 -0.005157 -0.023037 0.004087 0.005908 -0.020551 -0.009534 0.179990 -0.098374 -0.091247 0.024010 -0.018830 -0.004327 -0.039748 0.044804 -0.112599 -0.170155 -0.048780 -0.141500 0.025751 -0.027639 -0.011056 -0.164358 -0.082087 0.117049 0.001186 0.008593 0.024209 0.029938 -0.074793 -0.006023 0.016565 -0.012823 0.009623 -0.096398 -0.202262 -0.142941 -0.580967 -0.170759 0.398365 -0.049111 0.023466 0.083379 0.024898 0.013797 0.204041 0.002580 0.011722 0.074333 -0.033573 0.023674 -0.133154 -0.016135 -0.035476 0.011982 0.022808 0.038336 0.015783 -0.006778 -0.156151 -0.455526 0.009762 0.046015 -0.020005 0.117847 0.011642 -0.008655 0.541001 -0.289202 0.931812 -0.029693 0.025656 0.008826 0.105297 -0.121506 -0.398053 -0.005699 0.015274 0.001807 0.029676 0.060216 0.121625 0.046391 -0.065872 -0.029987 -0.015889 -0.024842 0.020822 -0.006021 0.041015 0.451830 -0.000286 0.005498 -0.003227 0.063887 0.089795 -0.035683 -0.399193 0.098891 0.153652 -0.014667 0.018544 -0.019398 -0.210297 -0.024384 0.580594 0.003646 -0.009848 -0.001861 -0.241081 -0.022251 -0.149043 -0.000248 0.008284 -0.004399 0.012288 0.055968 0.178213 0.099345 0.195254 -0.476713 0.045269 -0.054729 -0.029598 -0.022560 0.037975 0.007660 0.323759 0.346707 1.314161 0.020311 -0.026599 -0.012665 0.249121 0.180110 -0.332280 -0.026800 0.010557 -0.009842 0.270346 -0.062956 -0.243764 0.013597 -0.108505 -0.018949 -0.003426 0.022665 0.001765 -0.133161 -0.034998 0.029522 0.009942 -0.030814 -0.020725 -0.023783 0.004694 0.003849 0.043032 -0.031222 -0.113520 0.004650 -0.006179 -0.019896 -0.181390 0.065448 0.257372 -0.139119 -0.142996 -0.804595 0.009117 0.002099 0.008966 -0.104999 -0.107821 -0.021946 0.004314 0.007051 0.002652 -0.093787 -0.120108 -0.077913 -0.062501 0.147004 0.047891 0.023140 -0.014935 -0.007543 -0.232364 -0.045362 0.280384 0.006394 0.003974 -0.027842 0.119103 0.045582 -0.251915 0.001005 0.018821 -0.011589 -0.017649 0.002031 0.002685 0.003482 0.022945 -0.003057 0.184410 0.095023 0.305504 0.122360 0.201783 -0.102723 0.081880 0.133253 -0.100607 0.012987 -0.010021 0.002327 -0.009795 -0.009423 -0.004781 0.033925 0.008610 -0.011304 0.013694 0.008743 0.052628 0.026027 0.056836 0.011091 0.011387 0.006685 -0.005984 0.158267 0.009652 -0.603202 0.022482 -0.013067 -0.661198 0.080482 0.050920 0.048240 -0.004907 0.011713 0.011214 0.000137 -0.012691 0.002986 0.003943 -0.010328 -0.006387 0.179213 -0.098052 -0.091427 0.012746 -0.008914 -0.004367 -0.039058 0.045616 -0.116776 -0.169757 -0.049410 -0.140310 0.020147 -0.021373 -0.012357 -0.164727 -0.085503 0.111167 0.001926 0.007787 0.010059 0.040979 -0.045494 0.016808 0.003966 -0.006965 0.010451 -0.095090 -0.197127 -0.135770 -0.580559 -0.171229 0.395790 -0.021128 0.009529 0.036998 0.023667 0.013947 0.212661 0.010730 0.009614 0.037733 -0.034976 0.025287 -0.131292 -0.008610 -0.016588 0.013697 0.011064 0.018950 0.006964 -0.003774 -0.156764 -0.456346 -0.008768 0.020042 -0.011955 0.063954 -0.005761 -0.007660 0.540730 -0.294710 0.931873 -0.023544 0.012293 -0.000130 0.106913 -0.118694 -0.395848 -0.000834 0.013737 0.004699 0.031214 0.058127 0.120323 0.025238 -0.027731 -0.007827 -0.008460 -0.040057 0.010338 -0.008444 0.040008 0.454109 0.012933 -0.001732 0.002508 0.041993 0.040690 -0.033551 -0.395673 0.102305 0.150404 -0.004253 0.014590 -0.030868 -0.213396 -0.025226 0.579954 -0.001629 -0.011218 -0.001985 -0.242294 -0.023738 -0.149389 -0.005101 0.009223 -0.000421 0.005943 0.009594 0.165683 0.107351 0.195800 -0.476976 0.035978 -0.028621 -0.012903 -0.035870 0.014200 0.001495 0.316963 0.357302 1.315876 0.006952 -0.015230 -0.002521 0.253545 0.175889 -0.336260 -0.017428 0.010372 -0.012246 0.271525 -0.059837 -0.244893 0.004580 -0.068457 -0.004340 -0.009000 0.032616 0.003298 -0.141926 -0.033940 0.028180 -0.010115 -0.014951 -0.006192 -0.005545 0.015786 0.005606 -0.019506 -0.007611 0.073117 0.004449 -0.003697 -0.016790 -0.181042 0.065231 0.257301 -0.136899 -0.144305 -0.800878 0.006892 0.006451 0.007656 -0.084956 -0.091025 -0.011480 0.001810 0.003148 0.003380 -0.093453 -0.117283 -0.076049 -0.058443 0.123758 0.045495 0.022306 -0.014304 -0.015142 -0.231793 -0.045264 0.280731 0.006380 0.004030 -0.036932 0.118994 0.043232 -0.251785 -0.011977 0.013454 -0.003473 -0.014588 0.000793 0.004050 0.002092 0.018767 -0.006607 0.184601 0.094656 0.305663 0.123768 0.201998 -0.102785 0.080547 0.133533 -0.100450 0.008646 -0.008882 0.004373 -0.009828 -0.007884 -0.004932 0.027187 0.007221 -0.009206 0.018527 0.008351 0.048125 0.022093 0.057031 0.008005 0.012252 0.010295 -0.003521 0.158362 0.009547 -0.604077 0.022722 -0.013075 -0.660389 0.079534 0.050779 0.049273 -0.004313 0.010931 0.012473 -0.001635 -0.011975 0.003405 0.005471 -0.011369 -0.005132 0.179248 -0.098186 -0.090908 0.010908 -0.008753 -0.004045 -0.039093 0.045503 -0.115450 -0.169656 -0.049326 -0.140920 0.022052 -0.019024 -0.008642 -0.163404 -0.085583 0.111292 0.002395 0.006426 0.008189 0.038289 -0.042878 0.012671 0.002767 -0.010658 0.007642 -0.095386 -0.196910 -0.133464 -0.581860 -0.171352 0.395111 -0.020615 0.009410 0.041938 0.024714 0.014019 0.211322 0.012540 0.005636 0.038159 -0.034326 0.025370 -0.132128 -0.006726 -0.019057 0.014065 0.007936 0.018381 0.006200 -0.001334 -0.156755 -0.456720 -0.008218 0.019206 -0.015348 0.061540 -0.010181 -0.004815 0.542529 -0.294841 0.930190 -0.018847 0.012551 0.002451 0.106409 -0.118465 -0.396756 -0.000742 0.017101 0.005911 0.030563 0.060792 0.120086 0.025765 -0.020680 -0.009828 -0.004645 -0.045264 0.012296 -0.010886 0.040181 0.453849 0.012994 -0.002838 -0.001165 0.033950 0.040946 -0.031068 -0.395755 0.101692 0.151063 -0.003458 0.015588 -0.032713 -0.213408 -0.025364 0.578056 -0.003817 -0.008953 -0.000083 -0.241766 -0.023868 -0.149811 -0.004364 0.010135 -0.001082 0.076006 -0.019850 -0.021805 0.106901 0.195942 -0.477488 0.038083 -0.024502 -0.013884 -0.040412 0.013862 0.000454 0.316578 0.358714 1.315990 0.006710 -0.012030 -0.004856 0.253297 0.175836 -0.337527 -0.016928 0.011429 -0.011261 0.271090 -0.062490 -0.245277 0.003288 -0.061454 -0.004684 -0.008685 0.038119 0.003590 -0.141064 -0.034020 0.028144 -0.014929 -0.012266 -0.004762 -0.004431 0.012178 0.004400 -0.117067 0.029790 0.367140 0.003626 -0.001366 -0.018519 -0.181603 0.064882 0.257463 -0.133288 -0.145690 -0.797549 0.006103 0.008208 0.006180 -0.050953 -0.067986 -0.001928 -0.002415 -0.002000 0.003123 -0.093557 -0.114044 -0.073311 -0.050893 0.091258 0.046688 0.021050 -0.012207 -0.024345 -0.232150 -0.045149 0.281411 0.004832 0.004546 -0.051290 0.118273 0.040699 -0.251031 -0.031314 0.004731 0.010097 -0.010642 0.000176 0.006085 -0.000183 0.013302 -0.011056 0.185857 0.094040 0.305409 0.126082 0.201676 -0.104620 0.078831 0.133853 -0.100027 0.000260 -0.008569 0.007478 -0.008580 -0.007094 -0.003145 0.017446 0.005008 -0.003439 0.024965 0.006851 0.039273 0.016127 0.057435 0.003422 0.012100 0.014461 -0.000885 0.158426 0.009382 -0.604010 0.023084 -0.013084 -0.660611 0.077666 0.051234 0.049683 -0.003310 0.009623 0.013379 -0.002155 -0.009413 0.003961 0.007226 -0.013374 -0.002187 0.179718 -0.098062 -0.090545 0.007221 -0.008403 -0.003313 -0.039648 0.045445 -0.114242 -0.169842 -0.049301 -0.141883 0.025104 -0.017405 -0.004797 -0.162081 -0.086158 0.110779 0.002634 0.004811 0.006632 0.035432 -0.038480 0.004838 -0.000847 -0.015653 0.003458 -0.095808 -0.195813 -0.130250 -0.577953 -0.171688 0.396151 -0.017682 0.010978 0.051622 0.025677 0.014746 0.211244 0.008890 0.004818 0.041856 -0.033676 0.024607 -0.132087 -0.004388 -0.021376 0.013019 0.004936 0.015080 0.005179 -0.005237 -0.156817 -0.454516 0.000547 0.020001 -0.015811 0.057376 -0.011956 -0.005865 0.538603 -0.295221 0.934076 -0.012034 0.014150 0.004976 0.106296 -0.119457 -0.396761 -0.003325 0.016342 0.005788 0.029794 0.059589 0.120956 0.024998 -0.012659 -0.012235 -0.001379 -0.036140 0.015660 -0.007224 0.040354 0.451646 0.004420 -0.001778 -0.001110 0.010043 0.044488 -0.027567 -0.396168 0.101030 0.152481 -0.004979 0.016104 -0.021680 -0.214177 -0.026306 0.577717 -0.003348 -0.004044 -0.000134 -0.241257 -0.023092 -0.149468 0.000400 0.006488 -0.002601 0.188292 -0.065166 -0.344934 0.102254 0.196014 -0.477008 0.033601 -0.022766 -0.013648 -0.032260 0.017978 0.000559 0.315949 0.360885 1.316510 0.007239 -0.006932 -0.006282 0.252983 0.176961 -0.337508 -0.016216 0.010595 -0.006853 0.270556 -0.061127 -0.244576 0.003471 -0.048376 -0.009887 -0.004992 0.032103 0.004133 -0.136184 -0.034248 0.028769 -0.012418 -0.010634 -0.008127 -0.007153 0.004312 0.002804 -0.117372 0.029648 0.366208 0.003063 -0.000261 -0.018616 -0.182042 0.064628 0.257310 -0.133510 -0.146049 -0.796374 0.005599 0.009142 0.005495 -0.036565 -0.059279 -0.001375 -0.003801 -0.003603 0.003332 -0.093685 -0.113321 -0.072837 -0.045491 0.074675 0.043581 0.019463 -0.011122 -0.026163 -0.232582 -0.044816 0.281337 0.004724 0.004498 -0.054094 0.118769 0.039789 -0.251382 -0.031243 0.004517 0.011342 -0.008736 -0.001306 0.005878 -0.000785 0.011373 -0.011701 0.186232 0.095263 0.305806 0.126001 0.203265 -0.105618 0.077952 0.133950 -0.099923 -0.002125 -0.006838 0.006996 -0.007464 -0.005161 -0.002540 0.012629 0.004227 -0.000813 0.026289 0.006411 0.034263 0.013615 0.056829 0.001430 0.011488 0.015497 -0.000345 0.158567 0.009353 -0.604696 0.023433 -0.013033 -0.661383 0.077658 0.051407 0.050336 -0.003533 0.008822 0.013378 -0.003892 -0.007833 0.004601 0.007565 -0.013804 -0.000742 0.179895 -0.098482 -0.090478 0.005555 -0.007879 -0.003512 -0.039631 0.045517 -0.114372 -0.170048 -0.049268 -0.142359 0.025571 -0.016628 -0.002677 -0.161802 -0.086409 0.110354 0.002694 0.003846 0.006401 0.035196 -0.036896 0.004383 -0.002832 -0.017204 0.002193 -0.096069 -0.195754 -0.129203 -0.582681 -0.171553 0.396948 -0.016513 0.013157 0.053986 0.026291 0.010674 0.211449 0.006657 0.005472 0.042216 -0.033843 0.024127 -0.132474 -0.004012 -0.023050 0.012021 0.002260 0.013440 0.004916 -0.008443 -0.157070 -0.457621 -0.001112 0.020365 -0.011457 0.053265 -0.011628 -0.005675 0.543854 -0.295989 0.931568 -0.008042 0.013812 0.009809 0.106118 -0.119354 -0.396780 -0.004046 0.015206 0.005142 0.029880 0.059844 0.121054 0.024020 -0.011842 -0.013624 -0.000822 -0.036306 0.016871 -0.004509 0.040426 0.452195 0.006419 0.000001 -0.003943 0.004504 0.045199 -0.026199 -0.396916 0.100854 0.154094 -0.005709 0.013973 -0.019878 -0.214766 -0.022421 0.577749 -0.003616 -0.003923 -0.000078 -0.241545 -0.022468 -0.149573 0.001682 0.006624 -0.002488 0.193664 -0.072893 -0.345934 0.100987 0.196234 -0.477359 0.030266 -0.020954 -0.012474 -0.030404 0.018228 0.001354 0.316178 0.362225 1.318289 0.007449 -0.004822 -0.007809 0.252875 0.176954 -0.337572 -0.014934 0.010337 -0.004088 0.270638 -0.061256 -0.244428 0.004270 -0.039651 -0.011138 -0.003030 0.031597 0.005733 -0.135169 -0.034227 0.028855 -0.013222 -0.009046 -0.009659 -0.006698 0.001993 0.002585 -0.117271 0.028526 0.361580 -0.000576 0.001092 -0.017162 -0.181699 0.064420 0.257592 -0.130661 -0.147297 -0.793103 0.007052 0.010560 0.003243 0.012225 -0.041049 -0.000136 -0.005846 -0.007322 0.001509 -0.093795 -0.110954 -0.071294 -0.031446 0.028260 0.038563 0.016913 -0.006738 -0.032786 -0.232133 -0.045179 0.281965 0.004293 0.003481 -0.059938 0.118167 0.037559 -0.251186 -0.031544 0.001105 0.012555 -0.002828 -0.002573 0.008136 -0.002745 0.006108 -0.014240 0.186104 0.094126 0.305572 0.128143 0.202017 -0.106552 0.075360 0.133776 -0.097930 -0.009422 -0.004845 0.009476 -0.004787 -0.003102 0.000020 0.000397 0.002909 0.004173 0.029515 0.011172 0.026761 0.008370 0.057276 -0.002305 0.010441 0.017841 0.000289 0.158344 0.008955 -0.603702 0.023105 -0.013254 -0.660963 0.076293 0.051951 0.050323 -0.003606 0.007523 0.014326 -0.004171 -0.004443 0.004618 0.009088 -0.013621 0.002869 0.179614 -0.098527 -0.089715 0.000853 -0.006051 -0.003285 -0.039809 0.045352 -0.113170 -0.170053 -0.049517 -0.143229 0.026959 -0.014915 0.001482 -0.160211 -0.087636 0.109225 0.002903 0.001287 0.002701 0.032672 -0.028957 -0.000293 -0.005619 -0.020540 -0.001287 -0.096692 -0.194179 -0.124755 -0.579171 -0.172395 0.397326 -0.011199 0.013281 0.054394 0.026867 0.012198 0.212336 0.004383 0.000783 0.037758 -0.033665 0.023832 -0.131961 -0.000306 -0.024708 0.010894 -0.004333 0.008661 0.004114 -0.005562 -0.157132 -0.454692 0.005569 0.018006 -0.014143 0.043069 -0.019855 -0.000203 0.540179 -0.297110 0.934412 0.000960 0.011574 0.010557 0.106417 -0.120024 -0.396800 -0.006497 0.014184 0.003696 0.029428 0.059573 0.120968 0.018979 0.002033 -0.016552 0.002281 -0.026731 0.019261 -0.007682 0.040355 0.451371 0.002779 -0.000484 -0.004375 -0.022893 0.041137 -0.017955 -0.396722 0.100510 0.157182 -0.005104 0.014069 -0.015141 -0.216132 -0.024602 0.576703 -0.002984 0.005224 -0.000236 -0.241439 -0.022519 -0.149344 0.005987 0.005687 -0.004712 0.178826 -0.074048 -0.345362 0.100646 0.196091 -0.476784 0.023172 -0.012267 -0.010199 -0.018756 0.020465 -0.002354 0.314239 0.365506 1.316384 0.005892 0.000766 -0.007146 0.253279 0.177264 -0.338273 -0.012885 0.009256 -0.001280 0.270377 -0.061129 -0.244499 0.001865 -0.026923 -0.013945 -0.001068 0.029064 0.008764 -0.134805 -0.034503 0.029224 -0.009695 -0.004774 -0.011873 -0.006194 -0.004910 0.002539 -0.117214 0.026852 0.351773 -0.005855 0.007776 -0.013449 -0.180845 0.064095 0.257280 -0.126624 -0.149526 -0.785906 0.005819 0.014178 -0.000974 0.107330 -0.002794 0.006969 -0.011913 -0.019490 0.000722 -0.094103 -0.105861 -0.067773 -0.002831 -0.063778 0.027276 0.010000 0.002195 -0.046225 -0.231130 -0.044976 0.282284 0.003768 0.004077 -0.073019 0.118548 0.033076 -0.250934 -0.032166 -0.004285 0.015606 0.008387 -0.006557 0.010431 -0.007576 -0.007039 -0.019835 0.185639 0.094933 0.305690 0.131061 0.203834 -0.108342 0.070913 0.134017 -0.094315 -0.023076 0.002058 0.011549 0.000217 0.004730 0.004090 -0.025014 -0.000040 0.014767 0.035534 0.017236 0.009636 -0.002760 0.056266 -0.010514 0.008212 0.023183 0.002664 0.158421 0.008722 -0.604844 0.023453 -0.013290 -0.661326 0.074449 0.053143 0.052801 -0.003644 0.004932 0.015080 -0.007933 0.003445 0.006104 0.012410 -0.014050 0.010145 0.179096 -0.098781 -0.088979 -0.008870 -0.001922 -0.002070 -0.039943 0.045507 -0.111842 -0.170177 -0.049495 -0.145623 0.031512 -0.009585 0.009380 -0.157182 -0.089383 0.107455 0.004077 -0.003211 -0.002551 0.025696 -0.016025 -0.008080 -0.012559 -0.029588 -0.008812 -0.097756 -0.191570 -0.115708 -0.582747 -0.173120 0.399278 0.000946 0.015736 0.058195 0.029185 0.006127 0.214872 -0.001870 -0.006686 0.029591 -0.033854 0.023079 -0.132527 0.007825 -0.027301 0.009567 -0.015813 -0.001200 0.002283 -0.002935 -0.157411 -0.457429 0.009195 0.013379 -0.008919 0.019446 -0.028242 0.002854 0.545078 -0.299950 0.933921 0.018858 0.007803 0.019156 0.106756 -0.120370 -0.396338 -0.009834 0.009977 0.002671 0.029523 0.060826 0.119867 0.010744 0.022061 -0.019671 0.009105 -0.015786 0.022500 -0.011104 0.040754 0.450268 0.001190 0.001604 -0.011510 -0.069909 0.032091 -0.005231 -0.397593 0.100173 0.163855 -0.002420 0.009068 0.002726 -0.218997 -0.019229 0.575568 -0.003680 0.014713 -0.000381 -0.242019 -0.021501 -0.149979 0.009685 0.004052 -0.006460 0.165560 -0.087442 -0.342799 0.101872 0.196413 -0.477347 0.009608 0.003308 -0.006090 -0.002645 0.019220 -0.005223 0.312037 0.372853 1.320470 0.003796 0.014049 -0.010716 0.254006 0.177804 -0.339154 -0.006470 0.007851 0.006546 0.270675 -0.061844 -0.245484 0.001154 0.011625 -0.018438 0.002903 0.019976 0.005562 -0.135910 -0.034651 0.029244 -0.011679 0.003581 -0.015607 -0.005037 -0.016405 -0.000270 -0.116418 0.023502 0.328025 -0.014470 0.017259 -0.010475 -0.180205 0.062870 0.257174 -0.118769 -0.153897 -0.771906 0.004993 0.028551 -0.013088 0.296754 0.088234 0.027911 -0.022870 -0.038433 -0.003072 -0.094718 -0.095487 -0.061081 0.057124 -0.249038 0.006505 -0.002598 0.018732 -0.070593 -0.230059 -0.044143 0.283452 0.000318 0.003821 -0.100357 0.117712 0.024122 -0.251792 -0.038587 -0.014181 0.020985 0.032055 -0.012807 0.015984 -0.013565 -0.033491 -0.030672 0.185929 0.095785 0.305413 0.138092 0.205729 -0.113498 0.060759 0.134481 -0.088143 -0.047813 0.014715 0.017938 0.010636 0.017568 0.013033 -0.075591 -0.005632 0.035473 0.048466 0.027687 -0.021968 -0.025746 0.053132 -0.026301 0.004139 0.033368 0.004955 0.158500 0.008017 -0.604432 0.024080 -0.013320 -0.661678 0.071062 0.055644 0.055761 -0.004572 -0.001512 0.016813 -0.014708 0.018851 0.008730 0.018997 -0.013990 0.023541 0.178596 -0.099292 -0.086933 -0.027956 0.004241 -0.002181 -0.041089 0.045699 -0.108531 -0.170734 -0.049480 -0.150001 0.037012 0.002552 0.029715 -0.151183 -0.092842 0.103422 0.005697 -0.012350 -0.012868 0.011658 0.010026 -0.018749 -0.027623 -0.046063 -0.024795 -0.099908 -0.186404 -0.098593 -0.582551 -0.174517 0.401666 0.021115 0.018621 0.064408 0.033106 0.000635 0.218790 -0.016809 -0.024812 0.012616 -0.032885 0.021198 -0.133114 0.020097 -0.034936 0.005255 -0.041512 -0.024273 -0.003494 -0.004171 -0.158327 -0.457721 0.026631 0.005244 -0.000291 -0.015049 -0.049547 0.012770 0.546713 -0.305165 0.935577 0.055948 0.000500 0.034467 0.107098 -0.121424 -0.396182 -0.014771 0.004784 -0.001047 0.027737 0.060330 0.119640 -0.007280 0.069578 -0.029076 0.026810 0.011926 0.036357 -0.011235 0.041380 0.446264 -0.013242 0.005495 -0.022939 -0.163808 0.022261 0.018995 -0.398773 0.099039 0.176742 0.003104 0.001324 0.031545 -0.224887 -0.015058 0.571906 -0.001456 0.039523 -0.003911 -0.242078 -0.019220 -0.150092 0.023996 0.002638 -0.012614 0.138820 -0.112608 -0.329691 0.099241 0.197525 -0.477567 -0.026105 0.034454 0.001262 0.036736 0.025475 -0.011413 0.306641 0.387347 1.318954 -0.001188 0.040903 -0.013475 0.255389 0.178935 -0.341895 0.004372 0.002869 0.026225 0.269857 -0.060122 -0.246211 -0.003444 0.070984 -0.033110 0.006437 -0.012756 0.005786 -0.133329 -0.034929 0.030419 -0.005398 0.022166 -0.026411 -0.013275 -0.049666 -0.002513 -0.117284 0.025633 0.345436 -0.009237 0.009430 -0.014789 -0.181623 0.063713 0.257411 -0.124917 -0.150593 -0.782021 0.006485 0.017306 -0.003280 0.158531 0.023822 0.011308 -0.014880 -0.023067 -0.000419 -0.094063 -0.102952 -0.065798 0.014227 -0.117554 0.021221 0.007809 0.007341 -0.052104 -0.231641 -0.044587 0.282723 0.002295 0.002893 -0.081394 0.118066 0.030546 -0.252160 -0.032974 -0.007485 0.015898 0.015120 -0.008302 0.011714 -0.009602 -0.013906 -0.024164 0.187035 0.095135 0.305345 0.133272 0.204533 -0.111967 0.067872 0.134166 -0.094301 -0.030981 0.005395 0.013299 0.003473 0.008033 0.006187 -0.039798 -0.001478 0.020966 0.039296 0.017875 -0.001389 -0.008050 0.056535 -0.015119 0.007248 0.026315 0.002728 0.158533 0.008391 -0.605038 0.023913 -0.013139 -0.661811 0.074005 0.053864 0.053144 -0.004475 0.002786 0.014136 -0.009739 0.006866 0.006361 0.013918 -0.014207 0.012862 0.179695 -0.098873 -0.088564 -0.014044 -0.000422 -0.003201 -0.040478 0.045567 -0.111219 -0.170497 -0.049426 -0.146898 0.033104 -0.007100 0.015196 -0.155800 -0.090169 0.105637 0.003700 -0.005787 -0.004820 0.020923 -0.008873 -0.010562 -0.017791 -0.034308 -0.012963 -0.098299 -0.190217 -0.112180 -0.581786 -0.172967 0.401409 0.006528 0.017576 0.058669 0.030488 0.005821 0.216859 -0.006659 -0.009726 0.025884 -0.032615 0.022569 -0.132449 0.010917 -0.027369 0.008525 -0.022537 -0.011657 -0.000194 -0.009343 -0.157998 -0.456494 0.018777 0.012394 -0.005835 0.008343 -0.032354 0.003915 0.544484 -0.300568 0.937907 0.029332 0.005867 0.021916 0.106512 -0.120622 -0.395291 -0.010468 0.008722 0.000967 0.027895 0.060630 0.121412 0.006421 0.036035 -0.023059 0.011190 -0.007462 0.026330 -0.004901 0.040974 0.448946 -0.004232 0.003746 -0.013646 -0.095095 0.031958 0.002575 -0.398211 0.099038 0.168012 0.000442 0.006561 0.011920 -0.220244 -0.019087 0.576024 -0.003455 0.021552 -0.002416 -0.241272 -0.020783 -0.148797 0.013939 0.001586 -0.006382 0.158118 -0.098158 -0.338770 0.095377 0.197030 -0.476918 0.000448 0.012372 -0.002773 0.006307 0.021547 -0.006935 0.310330 0.376240 1.322186 0.003446 0.020692 -0.012267 0.254123 0.178450 -0.338594 -0.003332 0.007123 0.014155 0.269688 -0.061260 -0.244378 0.000325 0.031366 -0.021553 0.007127 0.010283 0.004599 -0.129286 -0.034732 0.030607 -0.011222 0.007104 -0.020124 -0.008241 -0.026198 -0.001351 -0.021275 -0.014223 0.062919 -0.006930 0.015866 -0.014559 -0.181578 0.063863 0.257590 -0.124773 -0.151159 -0.781785 0.002620 0.016327 -0.003368 0.136234 0.013081 0.008578 -0.014557 -0.020969 -0.001225 -0.094220 -0.103132 -0.066236 0.015763 -0.105611 0.016027 0.004711 0.008234 -0.045939 -0.231605 -0.044898 0.283071 0.001854 0.004716 -0.072891 0.118523 0.031195 -0.250974 -0.013111 0.000735 0.004071 0.013042 -0.007643 0.011534 -0.009988 -0.014857 -0.022422 0.186831 0.094725 0.306155 0.132951 0.203429 -0.110344 0.067278 0.134393 -0.093403 -0.028788 0.004929 0.012795 0.003817 0.006878 0.005723 -0.033520 -0.001882 0.022610 0.038054 0.019066 -0.001215 -0.008314 0.053970 -0.014775 0.005953 0.023888 0.003146 0.158281 0.008494 -0.605272 0.023555 -0.013291 -0.661542 0.073823 0.053858 0.053287 -0.004308 0.001568 0.014337 -0.008137 0.006231 0.005763 0.012728 -0.012820 0.013691 0.179488 -0.098805 -0.087898 -0.012240 0.000168 -0.001519 -0.040434 0.045491 -0.110858 -0.170638 -0.049509 -0.146666 0.030474 -0.005976 0.016568 -0.155099 -0.090296 0.106214 0.003181 -0.005057 -0.003236 0.018406 -0.008789 -0.011238 -0.013001 -0.030554 -0.011694 -0.098822 -0.190025 -0.111898 -0.583364 -0.173614 0.399642 0.004473 0.018065 0.054313 0.030186 0.003929 0.216273 -0.005597 -0.011324 0.024139 -0.033417 0.023051 -0.132371 0.011971 -0.024457 0.007132 -0.023397 -0.012137 -0.000797 -0.005929 -0.157847 -0.457457 0.019848 0.010627 -0.004974 0.016401 -0.035748 0.003941 0.545802 -0.301012 0.938537 0.027431 0.005606 0.021486 0.106746 -0.120548 -0.396043 -0.010545 0.006804 0.001039 0.028441 0.061433 0.120670 0.005433 0.032459 -0.021249 0.014187 -0.009123 0.028717 -0.009011 0.040895 0.450042 -0.007500 0.003551 -0.014205 -0.081731 0.028256 0.001041 -0.398439 0.099395 0.166630 0.000102 0.006805 0.014265 -0.220614 -0.017373 0.574841 -0.003595 0.021498 -0.001399 -0.241907 -0.021389 -0.149499 0.013526 0.001008 -0.007684 0.051118 -0.054863 -0.056535 0.095177 0.196947 -0.477196 0.003170 0.012167 -0.002376 0.005791 0.019846 -0.006749 0.310236 0.376041 1.323785 0.002904 0.020316 -0.013805 0.254088 0.178103 -0.339618 -0.003603 0.006673 0.012606 0.270007 -0.062257 -0.244912 -0.000279 0.028359 -0.020771 0.003000 0.011757 0.005384 -0.129285 -0.034784 0.030015 -0.013994 0.007246 -0.019365 -0.004059 -0.025972 -0.000608 0.068344 -0.052263 -0.197412 -0.006672 0.017867 -0.013530 -0.180571 0.063727 0.257299 -0.125665 -0.151422 -0.781941 0.000189 0.015826 -0.004030 0.116024 0.004094 0.004654 -0.014016 -0.019050 -0.001959 -0.094090 -0.103216 -0.067343 0.018539 -0.093751 0.009681 0.002760 0.009776 -0.040815 -0.230521 -0.044686 0.282928 0.001235 0.005427 -0.064667 0.118850 0.031323 -0.250640 0.005106 0.009236 -0.008423 0.012269 -0.008510 0.011315 -0.009810 -0.015819 -0.020431 0.185095 0.095603 0.306365 0.132895 0.204154 -0.106894 0.066775 0.134665 -0.091545 -0.025331 0.006202 0.012232 0.003979 0.007361 0.004915 -0.027758 -0.002005 0.024123 0.036301 0.019279 -0.001584 -0.007647 0.052747 -0.013405 0.005307 0.022193 0.002809 0.158177 0.008532 -0.604314 0.023336 -0.013270 -0.660843 0.074766 0.054004 0.053562 -0.004300 0.000470 0.014308 -0.009904 0.005770 0.005515 0.012288 -0.011418 0.013530 0.178650 -0.099015 -0.087772 -0.010454 0.000236 -0.000862 -0.040270 0.045536 -0.111033 -0.170526 -0.049475 -0.146978 0.028940 -0.005341 0.018112 -0.154367 -0.090308 0.106631 0.002846 -0.004624 -0.001498 0.017622 -0.008938 -0.010668 -0.008685 -0.026609 -0.010287 -0.099252 -0.190103 -0.111788 -0.583770 -0.173641 0.398644 0.003844 0.017580 0.047082 0.029661 0.002970 0.215811 -0.006230 -0.012569 0.020961 -0.033757 0.022527 -0.132826 0.012290 -0.022814 0.005984 -0.022989 -0.010549 -0.000812 -0.002249 -0.157768 -0.458850 0.013977 0.009211 -0.003779 0.021087 -0.038168 0.002425 0.547023 -0.300851 0.933365 0.026086 0.004776 0.024859 0.107492 -0.120767 -0.396765 -0.010004 0.006432 0.000977 0.028731 0.060468 0.119288 0.003521 0.027471 -0.019941 0.014826 -0.012844 0.029827 -0.012678 0.041070 0.449322 -0.001861 0.004479 -0.015219 -0.067103 0.025278 0.001422 -0.398592 0.099630 0.167038 -0.000451 0.005058 0.013417 -0.220958 -0.016267 0.573890 -0.001791 0.022262 -0.001723 -0.242348 -0.020772 -0.150217 0.013228 0.001733 -0.008210 -0.058858 -0.011814 0.223455 0.102649 0.196831 -0.477679 0.000402 0.011708 -0.001637 0.006008 0.017087 -0.005128 0.309898 0.375052 1.320994 0.002556 0.019215 -0.012517 0.254381 0.178419 -0.340095 -0.005016 0.005249 0.010529 0.270337 -0.061261 -0.246146 -0.000313 0.025922 -0.020616 0.000556 0.011789 0.005236 -0.136859 -0.034819 0.029495 -0.010936 0.006622 -0.018918 -0.002246 -0.028142 -0.000266 0.038659 -0.040169 -0.109967 -0.007166 0.016268 -0.013895 -0.181006 0.063503 0.257661 -0.125500 -0.151321 -0.782490 0.002589 0.016477 -0.003221 0.126398 0.006754 0.006087 -0.014274 -0.019703 -0.001866 -0.094164 -0.103161 -0.067029 0.017508 -0.099343 0.012416 0.004469 0.010184 -0.043844 -0.230970 -0.044546 0.283255 0.000812 0.005073 -0.066811 0.118297 0.031022 -0.251119 -0.001074 0.006409 -0.004369 0.013181 -0.008383 0.012246 -0.009315 -0.015596 -0.020648 0.185810 0.095170 0.306188 0.133373 0.204098 -0.107978 0.066574 0.134552 -0.092070 -0.025785 0.005973 0.013400 0.003972 0.007493 0.005533 -0.031140 -0.001577 0.022833 0.037170 0.019143 -0.000996 -0.007732 0.054815 -0.013626 0.006214 0.023739 0.002135 0.158261 0.008459 -0.604455 0.023516 -0.013267 -0.661091 0.074730 0.053899 0.052751 -0.004887 0.001452 0.014137 -0.010052 0.005915 0.006480 0.012987 -0.012323 0.013258 0.179003 -0.098981 -0.087741 -0.011393 -0.000294 -0.001146 -0.040603 0.045485 -0.110791 -0.170545 -0.049492 -0.146764 0.030710 -0.006033 0.017626 -0.154638 -0.090292 0.106537 0.002740 -0.005055 -0.002004 0.018958 -0.009183 -0.009979 -0.011197 -0.027915 -0.010405 -0.098885 -0.190232 -0.111860 -0.581524 -0.173924 0.397995 0.004655 0.016374 0.045422 0.029186 0.005333 0.215483 -0.006906 -0.012407 0.017745 -0.033418 0.022559 -0.132196 0.011833 -0.024130 0.004998 -0.022796 -0.010135 -0.000185 -0.004655 -0.157809 -0.456545 0.014613 0.008520 -0.005863 0.018910 -0.036377 0.003506 0.544758 -0.300874 0.933066 0.026738 0.004573 0.024106 0.107963 -0.120661 -0.397348 -0.010790 0.005997 -0.000095 0.028541 0.060403 0.119971 0.002579 0.029242 -0.020329 0.013244 -0.007377 0.027971 -0.009909 0.040984 0.448787 -0.001749 0.004505 -0.013934 -0.072864 0.026493 0.003772 -0.398239 0.099889 0.168590 -0.000837 0.004596 0.010934 -0.220840 -0.018632 0.573552 -0.000304 0.022711 -0.003243 -0.242044 -0.020928 -0.149594 0.013295 0.002709 -0.009089 -0.030652 -0.021361 0.145434 0.100209 0.196886 -0.477231 -0.003580 0.011994 -0.002477 0.011753 0.017760 -0.005424 0.309694 0.375232 1.319378 0.002737 0.018903 -0.012404 0.254340 0.178200 -0.340415 -0.005058 0.005048 0.010263 0.270183 -0.061217 -0.245458 -0.000384 0.027212 -0.020168 0.001985 0.006710 0.004400 -0.134366 -0.034839 0.029862 -0.007421 0.006583 -0.019414 -0.004487 -0.027761 -0.000199 0.034453 -0.039333 -0.099193 -0.005570 0.018052 -0.012033 -0.180836 0.063720 0.257620 -0.126305 -0.151339 -0.783721 -0.001546 0.014048 -0.003949 0.083695 0.001923 0.010757 -0.012600 -0.015054 -0.002385 -0.094117 -0.103893 -0.068376 0.015321 -0.068764 0.007119 0.002074 0.007815 -0.033209 -0.230742 -0.044610 0.283311 0.000761 0.005862 -0.055046 0.118349 0.032121 -0.251367 -0.000272 0.009878 -0.004640 0.010248 -0.007136 0.011388 -0.008401 -0.014094 -0.018180 0.185593 0.094640 0.306015 0.133337 0.203025 -0.106036 0.066021 0.134904 -0.092087 -0.019969 0.004858 0.012285 0.003132 0.005650 0.003330 -0.019464 -0.002086 0.023926 0.036087 0.016866 -0.000698 -0.005898 0.051018 -0.011804 0.005169 0.020071 0.001829 0.158109 0.008643 -0.604238 0.023419 -0.013164 -0.660761 0.075572 0.054035 0.051982 -0.004182 0.000058 0.012661 -0.008102 0.004205 0.004876 0.011135 -0.010021 0.011656 0.178879 -0.098636 -0.087660 -0.007722 -0.000282 -0.000617 -0.040600 0.045559 -0.111048 -0.170494 -0.049447 -0.146798 0.027088 -0.004801 0.017671 -0.154127 -0.090012 0.106900 0.002364 -0.003522 -0.000184 0.017618 -0.010573 -0.009050 -0.004938 -0.020728 -0.007510 -0.099106 -0.190257 -0.113560 -0.581325 -0.173606 0.397009 0.001557 0.015903 0.036570 0.028978 0.006622 0.215254 -0.006343 -0.013626 0.015573 -0.033616 0.023078 -0.132203 0.011115 -0.021299 0.003684 -0.020798 -0.007700 -0.001901 -0.002441 -0.157643 -0.455702 0.015469 0.007674 -0.006894 0.027133 -0.034779 0.003179 0.544612 -0.300391 0.933781 0.021783 0.004036 0.021471 0.107839 -0.120120 -0.397524 -0.009827 0.004926 -0.001393 0.028693 0.061116 0.119991 0.001842 0.021810 -0.019580 0.013212 -0.008840 0.027614 -0.012125 0.041083 0.449422 -0.004520 0.005281 -0.013427 -0.050766 0.017110 -0.001183 -0.398259 0.099812 0.168580 -0.001878 0.004981 0.010571 -0.220550 -0.019683 0.573215 0.000545 0.022769 -0.003523 -0.242131 -0.021276 -0.149566 0.012223 0.003449 -0.008654 -0.019648 -0.024056 0.137769 0.100409 0.196894 -0.477077 -0.003808 0.009268 -0.002204 0.010587 0.017293 -0.006521 0.309699 0.373453 1.319827 0.002738 0.016241 -0.012022 0.254272 0.177817 -0.340479 -0.005840 0.002640 0.007146 0.270316 -0.061916 -0.245607 -0.000994 0.019057 -0.019640 -0.000511 0.008023 0.003967 -0.134491 -0.034784 0.029967 -0.004375 0.004822 -0.017882 -0.002206 -0.024642 -0.000785 0.023899 -0.038708 -0.070898 0.001531 0.021363 -0.013466 -0.181773 0.063706 0.257025 -0.130189 -0.151936 -0.787383 -0.011061 0.008217 -0.003321 -0.050554 -0.014813 0.022234 -0.009405 -0.003126 -0.005540 -0.093858 -0.106681 -0.072826 0.007160 0.016478 -0.004842 -0.005971 0.009815 -0.005707 -0.231351 -0.044618 0.283093 -0.001667 0.008253 -0.019785 0.119297 0.035393 -0.252465 0.003468 0.020087 -0.004078 0.000752 -0.004259 0.007041 -0.006070 -0.010389 -0.011326 0.186567 0.094818 0.306077 0.132221 0.201723 -0.102513 0.064724 0.135850 -0.093881 -0.002874 0.001873 0.007669 0.001588 0.001460 -0.003321 0.013560 -0.003040 0.026044 0.036498 0.005617 0.000272 0.000817 0.044397 -0.006088 0.003436 0.010035 -0.000203 0.157964 0.008750 -0.605158 0.023656 -0.013049 -0.661032 0.078957 0.053907 0.050626 -0.003974 -0.003552 0.009665 -0.005478 -0.003100 0.001545 0.005216 -0.006947 0.006728 0.179575 -0.098440 -0.087720 0.003428 -0.000971 0.000499 -0.040932 0.045488 -0.112925 -0.170778 -0.049518 -0.147092 0.017455 -0.001943 0.019971 -0.152239 -0.089294 0.107991 0.001388 0.000535 0.006434 0.016620 -0.018321 -0.007704 0.011971 -0.003399 -0.000460 -0.099990 -0.191153 -0.120009 -0.583376 -0.173996 0.394733 -0.006361 0.015549 0.013590 0.025748 0.006251 0.215924 -0.004647 -0.009973 0.009772 -0.033727 0.023336 -0.132254 0.010654 -0.012199 0.003804 -0.015745 -0.002891 -0.010530 -0.007688 -0.158050 -0.456848 0.010102 0.005506 -0.002097 0.058427 -0.030637 0.001019 0.547408 -0.298493 0.932172 0.007964 0.004927 0.023842 0.110235 -0.120111 -0.398278 -0.007037 0.002608 -0.004993 0.028268 0.059746 0.120154 0.000013 -0.000121 -0.011985 0.011951 -0.018195 0.025906 -0.007163 0.041035 0.449282 -0.000795 0.008461 -0.010257 0.019206 0.005933 -0.016480 -0.398438 0.100483 0.167978 -0.006123 0.005360 0.007450 -0.220227 -0.018821 0.573290 0.001586 0.018630 -0.001753 -0.242153 -0.021651 -0.149477 0.009455 0.005026 -0.006305 0.007779 -0.017891 0.109052 0.097659 0.196894 -0.477682 0.001086 0.001046 -0.000802 0.001040 0.010788 -0.009078 0.309529 0.366897 1.322302 0.002715 0.006833 -0.014898 0.254492 0.177832 -0.339884 -0.007285 -0.002337 0.002583 0.270010 -0.061177 -0.245946 -0.000685 -0.002709 -0.013154 -0.010243 0.013684 0.001790 -0.131678 -0.034873 0.029724 -0.004036 -0.001212 -0.014002 0.008497 -0.021993 -0.000832 0.019117 -0.037828 -0.058502 0.003204 0.022938 -0.010830 -0.181437 0.064123 0.257380 -0.131232 -0.151786 -0.789438 -0.014857 0.004978 -0.003367 -0.107290 -0.024749 0.029080 -0.006703 0.005852 -0.007117 -0.093737 -0.107410 -0.074365 0.003136 0.060269 -0.009969 -0.009972 0.008596 0.007550 -0.230905 -0.044624 0.283504 -0.002133 0.009300 -0.003580 0.119683 0.037016 -0.252169 0.004965 0.024615 -0.003575 -0.003446 -0.002327 0.006143 -0.004785 -0.008536 -0.007638 0.185891 0.094441 0.306678 0.131750 0.200455 -0.099177 0.064254 0.136392 -0.093202 0.005546 0.000533 0.007157 0.000297 -0.000765 -0.005810 0.028408 -0.002647 0.025584 0.034717 0.004216 0.002001 0.002907 0.040725 -0.003257 0.002238 0.005523 -0.001446 0.157685 0.009116 -0.604403 0.023225 -0.012785 -0.660157 0.079932 0.054135 0.049646 -0.003300 -0.004398 0.008002 -0.003348 -0.004179 0.001255 0.003692 -0.004209 0.004993 0.179218 -0.098168 -0.087088 0.007943 -0.001031 0.002073 -0.040725 0.045675 -0.112626 -0.170676 -0.049354 -0.146633 0.013840 -0.000774 0.020852 -0.151797 -0.088961 0.108878 0.000474 0.002648 0.008613 0.016924 -0.020362 -0.005703 0.018989 0.005074 0.003265 -0.100412 -0.191497 -0.121778 -0.582135 -0.174067 0.390678 -0.009043 0.012544 -0.007643 0.024311 0.007760 0.214608 -0.002590 -0.007468 0.001363 -0.033865 0.024248 -0.131920 0.007521 -0.001970 0.001054 -0.008511 0.001802 -0.013391 -0.003316 -0.157664 -0.456040 0.009527 0.002759 -0.002880 0.068296 -0.023842 0.000719 0.546362 -0.296726 0.931692 -0.002396 0.005044 0.018972 0.111472 -0.119397 -0.399562 -0.004858 -0.001283 -0.007153 0.028457 0.060919 0.119656 -0.002243 -0.012915 -0.005393 0.008116 -0.017988 0.022725 -0.011729 0.041291 0.450058 -0.003643 0.009262 -0.006863 0.054260 -0.007487 -0.021398 -0.398549 0.101316 0.167189 -0.008893 0.003875 0.005171 -0.219475 -0.019572 0.572220 0.005112 0.013980 -0.000925 -0.242227 -0.022213 -0.149326 0.005655 0.004493 -0.004886 0.020494 -0.011901 0.095151 0.098904 0.197025 -0.477672 0.001351 -0.004879 -0.000712 0.002238 0.003659 -0.007262 0.309413 0.363456 1.320916 0.003244 -0.001317 -0.012289 0.254196 0.177709 -0.340446 -0.010039 -0.003971 -0.003455 0.270170 -0.062197 -0.246318 -0.000889 -0.018227 -0.008309 -0.015290 0.011192 0.000710 -0.132940 -0.034724 0.029591 0.001151 -0.006707 -0.009677 0.011101 -0.016050 0.000226 -0.021808 -0.018763 0.058136 0.000375 0.019047 -0.010365 -0.181290 0.064413 0.257237 -0.132533 -0.151182 -0.791132 -0.011154 0.003096 -0.003426 -0.070950 -0.019826 0.023403 -0.005554 0.006268 -0.007115 -0.093681 -0.108050 -0.075019 -0.000248 0.052352 -0.013296 -0.009545 0.008606 0.009025 -0.230817 -0.044560 0.283227 -0.002507 0.008796 0.005735 0.120038 0.038540 -0.252919 -0.003861 0.021935 0.001720 -0.003630 -0.000179 0.004249 -0.003560 -0.005910 -0.006114 0.185712 0.094707 0.306474 0.131119 0.200578 -0.099922 0.064379 0.136334 -0.093670 0.007434 0.000111 0.004943 -0.000420 -0.001248 -0.004076 0.024897 -0.001106 0.023580 0.034743 0.001870 0.001471 0.002316 0.036676 -0.002066 0.001110 0.002091 -0.002126 0.157533 0.009161 -0.604904 0.023014 -0.012601 -0.660508 0.080748 0.054519 0.049241 -0.002839 -0.004120 0.006773 -0.000856 -0.003135 0.001456 0.002692 -0.002775 0.005066 0.179093 -0.097925 -0.087107 0.008007 -0.000388 0.002159 -0.040732 0.045892 -0.113230 -0.170737 -0.049252 -0.146794 0.011757 0.000454 0.020198 -0.151526 -0.089042 0.109272 0.000283 0.004836 0.006701 0.016914 -0.016817 -0.003444 0.013871 0.004625 0.003622 -0.100641 -0.191126 -0.121520 -0.583435 -0.173998 0.389566 -0.005469 0.011098 -0.016235 0.023468 0.007932 0.214943 -0.000668 -0.008372 -0.000603 -0.034255 0.024340 -0.132201 0.004673 0.005136 0.001125 -0.008655 0.000926 -0.015073 -0.003194 -0.157575 -0.456797 0.006382 0.000620 0.000384 0.051414 -0.020713 0.006080 0.547769 -0.296268 0.931214 -0.002532 0.003859 0.018598 0.112347 -0.118935 -0.399821 -0.003756 -0.002456 -0.008105 0.028530 0.058904 0.118981 -0.004335 -0.015822 -0.001605 0.010268 -0.017412 0.018826 -0.012035 0.041439 0.450912 -0.003828 0.009061 -0.004765 0.048084 -0.007156 -0.020180 -0.398716 0.101961 0.165927 -0.010497 0.004339 0.006928 -0.219507 -0.019403 0.571877 0.005433 0.011236 -0.000030 -0.242670 -0.021959 -0.149755 0.004921 0.003528 -0.002286 0.065899 -0.028211 -0.020793 0.100271 0.197186 -0.478119 0.003568 -0.005448 -0.000033 -0.001448 -0.000655 -0.007889 0.309309 0.363644 1.321932 0.003612 -0.003936 -0.013193 0.254308 0.177505 -0.340621 -0.009371 -0.004352 -0.004891 0.270334 -0.059850 -0.247083 0.000477 -0.015784 -0.004805 -0.015550 0.013419 0.000480 -0.134402 -0.034554 0.029130 0.001303 -0.006439 -0.006616 0.014807 -0.013745 -0.000334 -0.068709 0.002326 0.194092 0.001696 0.016354 -0.010334 -0.181580 0.064478 0.257514 -0.133620 -0.150596 -0.793565 -0.010793 0.002649 -0.003777 -0.040994 -0.015836 0.019843 -0.005271 0.006849 -0.007789 -0.093446 -0.109029 -0.076117 -0.003273 0.046603 -0.016672 -0.010961 0.006891 0.016073 -0.231193 -0.044780 0.283275 -0.004059 0.007268 0.015246 0.119871 0.039796 -0.254371 -0.013020 0.018824 0.008418 -0.002817 0.002076 0.002985 -0.001584 -0.003142 -0.003820 0.186258 0.093594 0.306062 0.131207 0.200007 -0.101289 0.063688 0.135939 -0.094821 0.010077 -0.000928 0.003591 -0.001114 -0.001692 -0.001492 0.021569 0.000209 0.022209 0.036072 -0.000769 0.000754 0.001466 0.031469 -0.000018 0.000939 -0.000759 -0.003103 0.157413 0.008988 -0.605241 0.023011 -0.012611 -0.660099 0.082076 0.054943 0.047831 -0.001960 -0.004065 0.005688 0.001055 -0.002065 0.001226 0.001764 -0.001873 0.005731 0.179302 -0.097677 -0.086704 0.008048 -0.000082 0.002140 -0.040818 0.045948 -0.113723 -0.170688 -0.049479 -0.146739 0.009531 0.003092 0.019530 -0.151193 -0.089546 0.109702 0.000103 0.006656 0.005042 0.018717 -0.012525 -0.001074 0.007832 0.002424 0.003814 -0.100914 -0.190971 -0.121103 -0.579563 -0.174219 0.388917 -0.000547 0.012467 -0.022811 0.022335 0.011557 0.215243 0.000322 -0.007506 -0.004651 -0.034104 0.024743 -0.131557 0.002916 0.006737 0.001019 -0.010831 0.002583 -0.014612 -0.004492 -0.157751 -0.453744 0.003136 -0.001399 -0.000064 0.032370 -0.019604 0.009419 0.544019 -0.296715 0.929686 -0.001028 0.002739 0.018449 0.113332 -0.119276 -0.399637 -0.003673 -0.003669 -0.010548 0.028483 0.060911 0.119451 -0.004819 -0.012900 0.000735 0.014645 -0.018528 0.016303 -0.010468 0.041195 0.450143 -0.002510 0.008667 -0.000942 0.041568 -0.006142 -0.017908 -0.398308 0.102313 0.167742 -0.011909 0.003310 0.002200 -0.220076 -0.023047 0.571331 0.003600 0.007703 0.000468 -0.242529 -0.022508 -0.149206 0.003301 0.006998 -0.000094 0.118363 -0.050225 -0.165438 0.096961 0.197286 -0.477580 0.000986 -0.004282 -0.001175 -0.003219 -0.003006 -0.008843 0.308995 0.364203 1.321613 0.004435 -0.004852 -0.012332 0.255176 0.177507 -0.341081 -0.007932 -0.003994 -0.005659 0.270273 -0.062012 -0.246666 0.000791 -0.015887 -0.002847 -0.016788 0.018309 0.001055 -0.130935 -0.034488 0.029411 0.007069 -0.005234 -0.005128 0.016970 -0.010936 0.000424 -0.063044 0.001384 0.178401 0.001141 0.014236 -0.009379 -0.181124 0.064302 0.257344 -0.134510 -0.150381 -0.794109 -0.009018 0.002811 -0.003513 -0.018078 -0.013327 0.015546 -0.004610 0.006725 -0.007752 -0.093367 -0.109057 -0.075990 -0.003821 0.039592 -0.016435 -0.010643 0.007177 0.015286 -0.230823 -0.044456 0.283079 -0.003461 0.006177 0.018151 0.120293 0.040284 -0.254614 -0.014259 0.018858 0.008131 -0.002389 0.002478 0.001864 -0.001396 -0.001845 -0.002978 0.185815 0.094476 0.306020 0.130779 0.201085 -0.101549 0.064307 0.135823 -0.094700 0.010138 -0.000394 0.002289 -0.001303 -0.001308 -0.000313 0.018254 0.000932 0.019696 0.035111 -0.001779 0.000024 0.001444 0.029432 0.000386 0.000300 -0.001919 -0.003030 0.157491 0.009072 -0.605182 0.023092 -0.012588 -0.660316 0.082606 0.054970 0.048159 -0.001604 -0.003899 0.005031 0.001761 -0.001290 0.002231 0.001301 -0.001162 0.005648 0.179083 -0.097948 -0.086852 0.007897 0.000089 0.002474 -0.040716 0.046039 -0.114005 -0.170660 -0.049420 -0.146899 0.009394 0.003006 0.018534 -0.151224 -0.089596 0.109998 -0.000009 0.007311 0.003780 0.018977 -0.011021 -0.000441 0.004565 0.001916 0.003569 -0.100899 -0.191253 -0.120706 -0.582024 -0.174237 0.388848 0.002047 0.009005 -0.026567 0.022235 0.010692 0.216320 0.001143 -0.006336 -0.007540 -0.034529 0.024643 -0.131862 -0.000147 0.012427 0.001414 -0.011070 0.005503 -0.011930 -0.004287 -0.157808 -0.455440 -0.000402 -0.003730 0.004316 0.017453 -0.016590 0.011291 0.547041 -0.297034 0.929248 -0.000496 0.000616 0.014706 0.113592 -0.118351 -0.398954 -0.002607 -0.002799 -0.010546 0.028897 0.059548 0.118895 -0.005049 -0.012104 0.005135 0.015769 -0.017367 0.012005 -0.010631 0.041187 0.450914 -0.001815 0.006473 0.001113 0.035438 -0.004809 -0.015945 -0.398478 0.102862 0.166928 -0.011014 0.002885 0.001347 -0.220070 -0.022142 0.571345 0.003004 0.003488 0.001945 -0.242956 -0.022330 -0.149692 0.000674 0.004652 0.002545 0.114196 -0.052888 -0.156784 0.099983 0.197387 -0.478106 0.002746 -0.003271 -0.000441 -0.003642 -0.005143 -0.008294 0.309159 0.364993 1.322725 0.004726 -0.005662 -0.011284 0.255523 0.176783 -0.341019 -0.006099 -0.004988 -0.006196 0.270719 -0.060512 -0.247291 0.001610 -0.011934 0.001080 -0.015069 0.018003 0.000837 -0.133864 -0.034346 0.029042 0.005904 -0.003658 -0.001503 0.015597 -0.008644 0.000517 -0.043524 -0.002792 0.124130 0.001172 0.013282 -0.009424 -0.181670 0.064539 0.257749 -0.135925 -0.149228 -0.797057 -0.005909 0.001839 -0.003222 0.044756 -0.016506 0.001597 -0.004047 0.006064 -0.007835 -0.093046 -0.110089 -0.076228 -0.008552 0.017303 -0.017105 -0.008638 0.006502 0.015340 -0.231484 -0.044615 0.283081 -0.004105 0.003036 0.028548 0.120508 0.042319 -0.255668 -0.012285 0.018726 0.007436 -0.000358 0.005733 0.000461 0.000755 0.001898 -0.000227 0.186753 0.093616 0.306020 0.130508 0.201071 -0.104464 0.064369 0.135207 -0.096038 0.009981 -0.001334 0.000645 -0.001832 -0.001858 0.004691 0.008716 0.003557 0.017289 0.035195 -0.004626 -0.001558 -0.000032 0.022906 0.002339 -0.000458 -0.005334 -0.003272 0.157490 0.008850 -0.605792 0.023267 -0.012469 -0.660003 0.084135 0.055602 0.047279 -0.000327 -0.003326 0.003732 0.004827 0.001346 0.003546 0.000575 -0.000009 0.007391 0.179620 -0.097493 -0.086203 0.006165 0.001079 0.003002 -0.040811 0.046227 -0.114488 -0.170634 -0.049571 -0.146512 0.007363 0.003572 0.017645 -0.150913 -0.090329 0.110626 -0.000401 0.010141 0.001062 0.021919 -0.003985 0.002996 -0.007521 -0.002203 0.003140 -0.101070 -0.190750 -0.118945 -0.578966 -0.174134 0.387260 0.009993 0.009585 -0.032409 0.021836 0.012905 0.216208 0.002946 -0.004496 -0.012487 -0.034103 0.025031 -0.131695 -0.003032 0.018212 0.000953 -0.013480 0.003784 -0.008839 -0.005937 -0.158118 -0.453754 -0.003372 -0.006451 0.006001 -0.013556 -0.015100 0.016204 0.544253 -0.297835 0.927400 0.001901 -0.002296 0.013977 0.114147 -0.118739 -0.399170 -0.001847 -0.003742 -0.011998 0.028589 0.060788 0.119258 -0.005390 -0.005954 0.007923 0.023299 -0.019334 0.006188 -0.008683 0.040986 0.450108 -0.002355 0.005043 0.006017 0.015605 0.001450 -0.008865 -0.398109 0.103391 0.165021 -0.012061 0.001887 0.001061 -0.220532 -0.024407 0.569786 0.000456 -0.002352 0.002245 -0.242644 -0.022676 -0.149580 -0.001094 0.003866 0.004737 0.083771 -0.048224 -0.096405 0.096592 0.197729 -0.478031 0.004560 -0.001048 -0.001972 -0.008462 -0.007608 -0.007718 0.308904 0.367034 1.322687 0.005756 -0.005493 -0.011837 0.256419 0.176936 -0.342495 -0.003251 -0.003758 -0.006571 0.270540 -0.061610 -0.247143 0.000612 -0.005938 0.001178 -0.011550 0.021564 0.001981 -0.130207 -0.034162 0.029050 0.005826 -0.000253 -0.001275 0.018096 -0.004360 0.001298 -0.003331 -0.011997 0.017444 0.000187 0.007291 -0.005215 -0.181099 0.064801 0.258374 -0.139634 -0.147527 -0.800831 0.000928 -0.000611 -0.002566 0.174241 -0.021552 -0.032574 -0.001791 0.004509 -0.007557 -0.092038 -0.111757 -0.076865 -0.016798 -0.022897 -0.019087 -0.006499 0.007016 0.013803 -0.231267 -0.044890 0.283057 -0.001508 -0.001608 0.046649 0.123067 0.045144 -0.257385 -0.008339 0.017958 0.005260 0.003411 0.009790 -0.004685 0.004664 0.008131 0.003476 0.186172 0.095309 0.307614 0.127676 0.203192 -0.107307 0.065159 0.133868 -0.096336 0.010951 -0.001332 -0.006205 -0.002479 -0.002625 0.014393 -0.010210 0.008389 0.008863 0.031880 -0.009912 -0.003972 -0.002399 0.009559 0.007571 -0.002517 -0.011101 -0.004211 0.157369 0.008589 -0.605496 0.022779 -0.012475 -0.659794 0.086873 0.056263 0.047938 0.002094 -0.002203 0.000654 0.010128 0.006556 0.005689 -0.001285 0.001418 0.010865 0.179348 -0.097965 -0.084631 0.003435 0.003153 0.003819 -0.039841 0.046427 -0.115218 -0.170477 -0.049853 -0.145962 0.004104 0.005289 0.016797 -0.150643 -0.091669 0.112268 -0.001329 0.015518 -0.006253 0.026024 0.010707 0.010207 -0.029498 -0.009026 0.002923 -0.101948 -0.190821 -0.115306 -0.584174 -0.174295 0.385199 0.023861 0.006327 -0.044092 0.021599 0.008778 0.217269 0.007076 0.001822 -0.022334 -0.034947 0.025259 -0.131141 -0.009439 0.029515 0.003907 -0.019875 0.004174 -0.002768 -0.005299 -0.158543 -0.458255 -0.011541 -0.011975 0.018463 -0.076873 -0.010762 0.022925 0.550526 -0.300092 0.923823 0.009316 -0.009059 0.008303 0.115419 -0.118659 -0.399076 -0.002442 -0.002500 -0.015767 0.029664 0.057746 0.118292 -0.005390 0.005851 0.012945 0.034935 -0.026497 0.002360 -0.009714 0.040517 0.453124 -0.002649 0.000647 0.009240 -0.026039 0.012038 0.003643 -0.398135 0.105109 0.162824 -0.013171 0.000187 -0.003978 -0.221609 -0.020601 0.567108 -0.003501 -0.016113 0.003800 -0.243246 -0.023030 -0.150005 -0.005210 0.003399 0.009686 0.025552 -0.044933 0.023205 0.101260 0.197684 -0.478348 0.008042 0.003978 -0.003474 -0.014410 -0.013212 -0.006008 0.309159 0.371338 1.322426 0.007997 -0.004951 -0.012909 0.258269 0.176367 -0.345061 0.001543 -0.002104 -0.009038 0.271273 -0.058487 -0.247677 0.003239 0.006734 0.003664 -0.011317 0.034800 0.005242 -0.134539 -0.033839 0.028521 0.006857 0.007254 0.002085 0.022376 0.003073 0.001673 0.008072 -0.016205 -0.015426 0.000981 0.005307 -0.002939 -0.180565 0.064889 0.258601 -0.139722 -0.147132 -0.800869 0.003168 -0.000869 -0.001898 0.156702 -0.020320 -0.029421 -0.000948 0.001673 -0.005723 -0.092030 -0.110908 -0.076056 -0.013778 -0.026228 -0.016833 -0.005718 0.006856 0.010918 -0.230709 -0.044659 0.283314 -0.000799 -0.002405 0.044834 0.122908 0.044934 -0.257648 -0.006895 0.019141 0.003859 0.003866 0.008658 -0.004755 0.005432 0.009579 0.004571 0.185744 0.094991 0.307623 0.127781 0.203472 -0.106872 0.064787 0.133905 -0.096359 0.010579 -0.000105 -0.006735 -0.002286 -0.002946 0.013669 -0.009679 0.008862 0.006496 0.031499 -0.009188 -0.003328 -0.000508 0.007766 0.008611 -0.003192 -0.010122 -0.003420 0.157351 0.008657 -0.605820 0.022791 -0.012295 -0.659164 0.086912 0.056212 0.048610 0.001839 -0.001738 -0.000068 0.010277 0.006252 0.006860 -0.002236 0.002848 0.008666 0.179059 -0.097636 -0.084326 0.003432 0.003522 0.003716 -0.040177 0.046568 -0.114607 -0.170469 -0.049683 -0.145836 0.006112 0.003305 0.015545 -0.150711 -0.091402 0.112232 -0.001265 0.015972 -0.006311 0.026206 0.008223 0.009611 -0.027352 -0.003946 0.005345 -0.101613 -0.191026 -0.115162 -0.584065 -0.174194 0.384603 0.023568 0.001241 -0.042821 0.021387 0.010286 0.217334 0.009520 0.002686 -0.023822 -0.035009 0.025821 -0.131075 -0.013001 0.029604 0.002710 -0.016035 0.005343 -0.000006 -0.002145 -0.158381 -0.457459 -0.014181 -0.012921 0.017544 -0.079263 -0.009102 0.021641 0.550559 -0.300139 0.921640 0.008143 -0.010088 0.004011 0.115469 -0.118139 -0.399503 -0.000753 -0.002391 -0.015198 0.029479 0.058631 0.118166 -0.004889 0.008521 0.014535 0.031638 -0.025163 -0.001561 -0.012571 0.040627 0.453311 -0.001727 -0.002323 0.010626 -0.017881 0.005658 0.004953 -0.397901 0.105659 0.163558 -0.011725 -0.000449 -0.008337 -0.221608 -0.021759 0.566063 -0.003406 -0.019349 0.004105 -0.243335 -0.023272 -0.150030 -0.006867 0.003878 0.011177 0.014030 -0.045576 0.058225 0.102552 0.197969 -0.478404 0.002569 0.005022 -0.004317 -0.014878 -0.011632 -0.004300 0.308789 0.372362 1.320773 0.008729 -0.003848 -0.011055 0.258744 0.176274 -0.345842 0.002997 -0.000570 -0.011233 0.271365 -0.059039 -0.248094 0.003693 0.009715 0.004967 -0.009856 0.033043 0.004773 -0.135790 -0.033680 0.028826 0.009360 0.009164 0.004738 0.019450 0.007740 0.001272 0.045674 -0.032090 -0.117051 0.003959 0.003405 -0.001988 -0.181528 0.064533 0.259308 -0.140813 -0.145701 -0.801300 0.006219 -0.000776 -0.001072 0.091553 -0.006415 -0.017805 0.002449 -0.004543 -0.005625 -0.091637 -0.109836 -0.073852 -0.004912 -0.037325 -0.008754 -0.001899 0.001905 0.003488 -0.231720 -0.044477 0.283613 0.000871 -0.005226 0.038000 0.122919 0.045061 -0.257741 -0.002229 0.023815 0.001198 0.004211 0.006009 -0.007055 0.005748 0.013372 0.005727 0.187469 0.094523 0.307815 0.127309 0.204851 -0.110509 0.064977 0.133107 -0.098604 0.006346 0.001333 -0.010749 -0.000754 -0.005274 0.012168 -0.008548 0.010567 0.001437 0.030416 -0.010800 -0.006382 0.000945 0.003160 0.009402 -0.005313 -0.009106 -0.002121 0.157327 0.008305 -0.607575 0.023004 -0.012311 -0.658777 0.087732 0.056226 0.049963 0.001539 -0.000482 -0.002481 0.010813 0.007322 0.007819 -0.004280 0.003689 0.003546 0.179851 -0.097701 -0.083517 0.001596 0.004658 0.001925 -0.040531 0.046544 -0.114218 -0.170664 -0.049901 -0.145745 0.009251 -0.003639 0.012925 -0.151424 -0.091834 0.111287 -0.000926 0.016514 -0.007828 0.025883 0.002828 0.008146 -0.022146 0.006586 0.009809 -0.101450 -0.192501 -0.114370 -0.582331 -0.173709 0.385449 0.020715 -0.000757 -0.029053 0.020925 0.012351 0.217531 0.013945 0.003478 -0.015718 -0.034198 0.025664 -0.131593 -0.015278 0.027460 0.002186 -0.007666 0.004411 0.002609 -0.008651 -0.158898 -0.456466 -0.009953 -0.010399 0.016877 -0.056920 -0.012040 0.014950 0.548564 -0.300879 0.921038 0.004912 -0.011586 0.007628 0.115543 -0.118229 -0.400315 -0.002816 0.000267 -0.017259 0.028222 0.057705 0.119066 -0.004122 0.012510 0.014596 0.024205 -0.028758 -0.008654 -0.006024 0.040179 0.452344 -0.004839 -0.003388 0.014300 0.018732 -0.000900 0.001333 -0.397040 0.106003 0.162667 -0.008999 -0.001329 -0.011068 -0.222002 -0.024117 0.565122 -0.004247 -0.024327 0.006292 -0.242594 -0.023400 -0.150042 -0.006979 0.003491 0.012816 -0.026767 -0.026161 0.164293 0.096144 0.198226 -0.478577 -0.001701 0.004935 -0.004748 -0.019918 -0.003216 -0.001813 0.307314 0.374264 1.322207 0.005922 -0.004041 -0.015698 0.259558 0.175980 -0.347177 0.004674 0.002130 -0.008602 0.270351 -0.058248 -0.247848 0.001818 0.013508 0.006033 -0.010994 0.036491 0.007665 -0.129245 -0.033615 0.028870 0.005640 0.011722 0.004137 0.018813 0.008847 0.002166 0.122522 -0.063378 -0.316563 0.006905 -0.007686 0.003303 -0.179592 0.064734 0.260083 -0.141822 -0.142805 -0.802083 0.017103 -0.004607 0.000214 -0.027055 0.000974 -0.006593 0.007041 -0.009910 -0.002074 -0.090673 -0.107922 -0.070069 0.015818 -0.062159 0.008607 0.001880 -0.003472 -0.013224 -0.230199 -0.044556 0.283785 0.006410 -0.009943 0.023369 0.123678 0.045329 -0.256064 0.004421 0.032903 -0.002724 0.004329 -0.000735 -0.009951 0.006830 0.019496 0.011079 0.185598 0.094009 0.308364 0.126057 0.207842 -0.110092 0.066373 0.131804 -0.098278 -0.001271 0.005844 -0.016963 0.001491 -0.008904 0.009504 -0.005663 0.014677 -0.009151 0.024032 -0.008423 -0.005563 0.004126 -0.005175 0.012522 -0.008982 -0.006488 0.000290 0.157061 0.008155 -0.609760 0.022281 -0.012392 -0.657414 0.088592 0.056374 0.053566 0.003240 0.002209 -0.006171 0.011528 0.009335 0.011400 -0.006645 0.006380 -0.002585 0.178722 -0.097498 -0.082224 -0.001833 0.006891 -0.000769 -0.040588 0.046726 -0.113224 -0.170425 -0.050082 -0.145660 0.012376 -0.016300 0.006108 -0.152852 -0.092333 0.110508 0.000465 0.017167 -0.008457 0.024764 -0.008307 0.008347 -0.010484 0.032867 0.023872 -0.100862 -0.195107 -0.111130 -0.580492 -0.173292 0.386877 0.013827 -0.012568 -0.004091 0.019938 0.014129 0.217080 0.023076 0.004331 -0.000816 -0.035336 0.025925 -0.131653 -0.021108 0.022394 -0.000125 0.008820 0.004518 0.006941 0.000638 -0.158698 -0.455919 -0.005736 -0.004105 0.013496 -0.017802 -0.018899 -0.001343 0.546714 -0.302521 0.914514 -0.003591 -0.013777 0.008941 0.116417 -0.117677 -0.402408 -0.000079 0.004544 -0.012313 0.029633 0.055650 0.116453 -0.001098 0.021282 0.012226 0.003870 -0.028282 -0.026776 -0.014649 0.039714 0.452822 -0.005957 -0.010335 0.018809 0.072195 -0.024316 -0.000918 -0.395466 0.108146 0.160244 0.000151 -0.003792 -0.021072 -0.223200 -0.026267 0.562222 -0.003363 -0.030020 0.010877 -0.243456 -0.023662 -0.151442 -0.009355 0.000495 0.012943 -0.109545 0.018995 0.376672 0.103372 0.198041 -0.478968 -0.012768 0.004496 -0.007630 -0.022904 0.016941 0.003612 0.304924 0.378859 1.321210 0.002835 -0.000634 -0.017445 0.262170 0.175665 -0.350621 0.007364 0.010075 -0.009749 0.271477 -0.056127 -0.250015 -0.001835 0.022085 0.011433 -0.006386 0.033208 0.005757 -0.135969 -0.033282 0.027988 -0.000747 0.017705 0.002729 0.008721 0.015527 0.001325 0.113829 -0.059731 -0.293974 0.007191 -0.009467 0.005340 -0.179450 0.064823 0.260143 -0.141725 -0.142622 -0.802084 0.017916 -0.005063 0.000305 -0.043066 0.004641 -0.002537 0.007500 -0.009835 -0.001599 -0.090637 -0.107641 -0.069966 0.016906 -0.061899 0.009189 0.002515 -0.003993 -0.014521 -0.229952 -0.044522 0.283863 0.007085 -0.010167 0.021279 0.124202 0.045209 -0.256245 0.002457 0.032481 -0.001247 0.004315 -0.000890 -0.010848 0.007232 0.020150 0.010996 0.185902 0.094139 0.308626 0.125745 0.207808 -0.110448 0.066319 0.131822 -0.098787 -0.001545 0.005879 -0.018016 0.002148 -0.009640 0.008688 -0.004958 0.014663 -0.011014 0.023804 -0.008275 -0.005558 0.004393 -0.005452 0.012369 -0.009039 -0.006102 0.000457 0.157203 0.008143 -0.609787 0.022443 -0.012257 -0.657562 0.088644 0.056376 0.054102 0.003457 0.002423 -0.007218 0.012093 0.008995 0.011504 -0.006913 0.006217 -0.002986 0.178941 -0.097443 -0.082068 -0.001655 0.007233 -0.001303 -0.040254 0.046768 -0.113191 -0.170289 -0.050013 -0.145746 0.012977 -0.017038 0.005533 -0.152746 -0.092283 0.110104 0.000641 0.017257 -0.008459 0.024795 -0.008929 0.008102 -0.009485 0.035380 0.024730 -0.100797 -0.195151 -0.111512 -0.581759 -0.173014 0.386653 0.013652 -0.012184 -0.001750 0.020602 0.012566 0.216589 0.023267 0.006659 -0.000372 -0.035145 0.026111 -0.131898 -0.021988 0.020945 -0.000988 0.008975 0.005535 0.006223 0.000958 -0.158827 -0.457510 -0.003796 -0.003165 0.015242 -0.014214 -0.019114 -0.002042 0.548155 -0.302214 0.915470 -0.003785 -0.012845 0.007727 0.116270 -0.117746 -0.402959 0.000716 0.004501 -0.011969 0.029394 0.055761 0.116655 -0.000011 0.022362 0.011481 0.002450 -0.029230 -0.027087 -0.015021 0.039755 0.453045 -0.007985 -0.011018 0.019192 0.075827 -0.026611 -0.000925 -0.395801 0.108093 0.160614 0.000163 -0.004344 -0.023140 -0.222934 -0.024573 0.561848 -0.003859 -0.031857 0.010169 -0.243341 -0.023707 -0.151435 -0.010281 0.000446 0.013284 -0.097419 0.010318 0.358149 0.102159 0.198321 -0.479175 -0.015032 0.004142 -0.007650 -0.023276 0.017886 0.004045 0.305325 0.378957 1.320641 0.002454 -0.000973 -0.016145 0.262133 0.175786 -0.350783 0.008315 0.010697 -0.009943 0.271533 -0.056131 -0.250085 -0.001477 0.021551 0.011932 -0.005354 0.035340 0.004898 -0.134554 -0.033249 0.028333 0.000404 0.016993 0.002839 0.006141 0.016083 0.002170 0.086305 -0.048573 -0.222653 0.006317 -0.010461 0.006278 -0.178672 0.064747 0.260249 -0.142080 -0.141823 -0.801392 0.019688 -0.006725 0.000260 -0.073448 0.008569 0.006368 0.008300 -0.010142 -0.001640 -0.090590 -0.107076 -0.068665 0.020615 -0.062230 0.016556 0.003407 -0.005070 -0.018469 -0.229219 -0.044517 0.283879 0.007577 -0.010721 0.016164 0.123959 0.045406 -0.255256 -0.004693 0.031203 0.002885 0.003115 -0.002782 -0.011513 0.006991 0.021404 0.009481 0.185129 0.093428 0.308294 0.125766 0.208564 -0.109661 0.066978 0.131569 -0.098860 -0.003277 0.007215 -0.018770 0.002861 -0.010093 0.006546 -0.004565 0.015545 -0.012827 0.023389 -0.006802 -0.004914 0.004308 -0.006885 0.012329 -0.010152 -0.005467 0.000903 0.156998 0.008108 -0.611180 0.022216 -0.012310 -0.656957 0.088961 0.056337 0.055101 0.004083 0.003059 -0.008049 0.012066 0.008889 0.011943 -0.007329 0.007041 -0.005137 0.178387 -0.097269 -0.081866 -0.002916 0.006848 -0.002528 -0.040592 0.046784 -0.112821 -0.170294 -0.050114 -0.145706 0.014688 -0.020796 0.004668 -0.153178 -0.092382 0.110372 0.000692 0.016700 -0.008775 0.021891 -0.011657 0.008634 -0.005581 0.041251 0.027734 -0.100486 -0.196201 -0.110325 -0.580405 -0.172942 0.387684 0.012364 -0.011319 0.001605 0.020202 0.014731 0.217181 0.025631 0.003214 0.001851 -0.035479 0.026376 -0.131976 -0.022119 0.021336 0.000147 0.011377 0.006517 0.004367 0.005311 -0.158709 -0.456119 -0.002682 -0.002519 0.014466 -0.003351 -0.022443 -0.001528 0.546621 -0.302250 0.915040 -0.004055 -0.011756 0.010774 0.116503 -0.117470 -0.402988 0.000707 0.004655 -0.013708 0.029429 0.056440 0.115957 -0.000251 0.021368 0.011117 0.003531 -0.035625 -0.026718 -0.019139 0.039710 0.452958 -0.008978 -0.010628 0.020289 0.090269 -0.034240 -0.003489 -0.395602 0.108362 0.160226 -0.001724 -0.002087 -0.026078 -0.223076 -0.026797 0.561860 -0.003373 -0.030082 0.010996 -0.243687 -0.024057 -0.151741 -0.009498 0.000133 0.013509 -0.060887 -0.000970 0.284909 0.104708 0.198208 -0.479173 -0.013394 0.003884 -0.008058 -0.024812 0.020366 0.004209 0.304649 0.379389 1.323022 0.004116 -0.000417 -0.022746 0.262398 0.175269 -0.350524 0.007165 0.012221 -0.011517 0.271674 -0.056922 -0.250852 -0.002642 0.022941 0.011059 -0.006621 0.042422 0.003492 -0.136955 -0.033293 0.028203 -0.002580 0.019172 -0.000125 0.007040 0.015241 0.001741 0.029672 -0.026338 -0.074334 0.006792 -0.013491 0.010374 -0.180050 0.064503 0.260887 -0.143148 -0.140678 -0.800979 0.023430 -0.007257 0.001321 -0.143948 0.023657 0.022416 0.008536 -0.010103 -0.001266 -0.090240 -0.105614 -0.066789 0.027319 -0.062647 0.021964 0.008463 -0.011296 -0.028784 -0.230604 -0.044277 0.284294 0.009543 -0.012431 0.004393 0.124810 0.044732 -0.255276 -0.018539 0.029038 0.013928 0.002558 -0.005271 -0.014010 0.007805 0.024960 0.010427 0.187647 0.094211 0.309097 0.124969 0.210508 -0.112758 0.066753 0.131083 -0.101590 -0.005921 0.009274 -0.022187 0.005768 -0.012915 0.003595 -0.001208 0.015847 -0.019466 0.024626 -0.010872 -0.007675 0.004273 -0.008204 0.011790 -0.011358 -0.003022 0.002600 0.157480 0.007852 -0.612370 0.023083 -0.012292 -0.657425 0.089779 0.056156 0.057327 0.004574 0.004118 -0.010202 0.011433 0.008598 0.013600 -0.009178 0.005587 -0.008788 0.179765 -0.097405 -0.081217 -0.004306 0.007388 -0.005489 -0.040750 0.046752 -0.112608 -0.170481 -0.050221 -0.145943 0.018978 -0.026903 0.003703 -0.153361 -0.092568 0.109027 -0.000516 0.015115 -0.007993 0.021586 -0.017077 0.008892 0.000049 0.051418 0.031585 -0.099941 -0.197742 -0.110899 -0.582367 -0.172550 0.389165 0.007339 -0.014660 0.017756 0.019617 0.012910 0.216807 0.028329 0.008241 0.010704 -0.034799 0.025645 -0.131962 -0.023908 0.015759 -0.000623 0.018998 0.005298 0.004008 -0.005196 -0.159352 -0.457997 0.001275 0.000569 0.019396 0.015213 -0.020742 -0.012965 0.548880 -0.302711 0.913322 -0.008428 -0.012187 0.012968 0.117207 -0.117524 -0.404766 0.002102 0.006581 -0.010982 0.028945 0.052807 0.117099 0.001985 0.023150 0.010233 -0.009529 -0.034108 -0.036534 -0.008480 0.039270 0.452575 -0.011413 -0.012281 0.022998 0.119644 -0.035938 -0.005000 -0.394881 0.109160 0.160528 0.001298 -0.003540 -0.031412 -0.223410 -0.025252 0.560974 -0.003905 -0.035324 0.014451 -0.242994 -0.023496 -0.151538 -0.009182 0.000932 0.014826 0.009383 -0.018659 0.120696 0.097757 0.198470 -0.479241 -0.018659 0.002619 -0.007652 -0.024930 0.028854 0.007114 0.304016 0.380587 1.321150 0.003498 -0.001055 -0.020698 0.263424 0.175387 -0.352021 0.011143 0.013905 -0.005081 0.271224 -0.053355 -0.250029 -0.002613 0.021005 0.014516 -0.003916 0.036575 0.004197 -0.129581 -0.033177 0.028246 -0.000732 0.018679 -0.000496 0.001501 0.017333 0.002100 -0.088837 0.020002 0.216023 0.010138 -0.021676 0.015081 -0.177793 0.064401 0.261299 -0.144319 -0.138088 -0.799361 0.030009 -0.007617 0.002872 -0.257324 0.041651 0.051781 0.015340 -0.008062 0.003883 -0.089294 -0.102756 -0.063146 0.041212 -0.067549 0.040637 0.011321 -0.021006 -0.041590 -0.228544 -0.044126 0.284367 0.013554 -0.014737 -0.017658 0.125961 0.043953 -0.253029 -0.049398 0.021775 0.034791 0.000461 -0.012192 -0.018620 0.006966 0.032314 0.010796 0.185779 0.094033 0.309463 0.123667 0.213745 -0.110535 0.067836 0.130189 -0.102625 -0.010992 0.014960 -0.028012 0.009975 -0.015947 -0.004041 0.004183 0.017765 -0.033237 0.022503 -0.009824 -0.005594 0.005767 -0.008715 0.013234 -0.014358 0.001565 0.003840 0.157191 0.007703 -0.615471 0.022328 -0.012357 -0.656025 0.090913 0.056067 0.061831 0.005919 0.006642 -0.014138 0.009968 0.007932 0.016811 -0.010135 0.005854 -0.013925 0.178666 -0.097553 -0.080265 -0.007669 0.007696 -0.011593 -0.040434 0.046851 -0.111766 -0.170137 -0.050413 -0.146565 0.030627 -0.041119 -0.001027 -0.154426 -0.092832 0.107776 0.000102 0.013777 -0.006122 0.018975 -0.028287 0.009290 0.015111 0.076658 0.041989 -0.099412 -0.201301 -0.109696 -0.581077 -0.171663 0.391774 -0.002558 -0.027374 0.053667 0.018722 0.014145 0.215644 0.033859 0.009844 0.027075 -0.035490 0.025919 -0.132470 -0.027776 0.004259 -0.004222 0.043774 0.005584 0.003372 0.004148 -0.159299 -0.459060 0.005068 0.010276 0.014380 0.053044 -0.012277 -0.027878 0.547852 -0.303275 0.906298 -0.018850 -0.012085 0.010618 0.118006 -0.116643 -0.407799 0.007399 0.011096 -0.004040 0.029605 0.051119 0.114788 0.007963 0.022245 0.005069 -0.037576 -0.034630 -0.049897 -0.017151 0.038826 0.452622 -0.013439 -0.017270 0.024040 0.161902 -0.062404 -0.005124 -0.393827 0.110916 0.160317 0.010250 -0.004952 -0.039660 -0.224369 -0.026764 0.558544 -0.002259 -0.035782 0.018762 -0.243496 -0.023873 -0.152823 -0.010065 -0.005470 0.013086 0.160401 -0.058449 -0.204801 0.104436 0.198390 -0.479757 -0.028869 -0.000078 -0.007126 -0.025710 0.048616 0.015032 0.302240 0.383270 1.321286 -0.003496 -0.001969 -0.013846 0.265897 0.174934 -0.354508 0.012627 0.022136 -0.008544 0.272014 -0.051863 -0.252408 -0.004910 0.023828 0.019403 0.004599 0.028715 0.003843 -0.135540 -0.032978 0.027758 -0.005096 0.018782 0.004888 -0.013650 0.026821 -0.000027 -0.012318 -0.010195 0.030844 0.010532 -0.015950 0.012562 -0.178567 0.064550 0.260884 -0.143381 -0.139643 -0.800282 0.026217 -0.007302 0.000946 -0.181806 0.028493 0.029468 0.009494 -0.009683 -0.001047 -0.089786 -0.104384 -0.065385 0.033148 -0.066292 0.029883 0.010552 -0.011829 -0.033869 -0.229167 -0.044069 0.284227 0.010897 -0.012678 -0.003816 0.125114 0.044508 -0.254669 -0.029753 0.025844 0.021417 0.002008 -0.007683 -0.015634 0.007548 0.027873 0.010510 0.186382 0.094021 0.308727 0.124763 0.211789 -0.111482 0.067254 0.130909 -0.102035 -0.006988 0.011967 -0.024164 0.006937 -0.013386 0.000338 0.001186 0.016574 -0.026411 0.021300 -0.009320 -0.005959 0.005828 -0.007925 0.012653 -0.012215 -0.000769 0.002414 0.157300 0.007929 -0.613467 0.022621 -0.012157 -0.656778 0.090257 0.056327 0.058929 0.005186 0.005261 -0.012391 0.011002 0.008360 0.015293 -0.009545 0.006714 -0.010352 0.179079 -0.097333 -0.081142 -0.004535 0.007418 -0.008958 -0.040530 0.046919 -0.112478 -0.170219 -0.050151 -0.146497 0.023639 -0.032146 0.001137 -0.153714 -0.092518 0.108309 -0.000430 0.013888 -0.007527 0.022249 -0.021446 0.008533 0.005293 0.061780 0.035532 -0.099736 -0.198972 -0.110818 -0.580579 -0.171843 0.391112 0.002060 -0.021673 0.033234 0.019360 0.014956 0.217081 0.029446 0.007715 0.017221 -0.034876 0.026024 -0.131987 -0.026085 0.009811 -0.002700 0.029172 0.007000 0.004979 0.000719 -0.159144 -0.457069 0.001371 0.004842 0.014548 0.025655 -0.014468 -0.018740 0.547359 -0.302584 0.910938 -0.013937 -0.012836 0.007488 0.117449 -0.116991 -0.405201 0.005962 0.006086 -0.005896 0.028943 0.052613 0.116613 0.005517 0.021573 0.007545 -0.023958 -0.028964 -0.043467 -0.013838 0.039275 0.452781 -0.011473 -0.015583 0.023362 0.134258 -0.048011 -0.002453 -0.394446 0.109653 0.162061 0.007590 -0.004839 -0.034132 -0.223773 -0.027009 0.560692 -0.003641 -0.035747 0.014454 -0.243061 -0.023630 -0.151546 -0.010998 -0.002883 0.014307 0.062268 -0.036299 0.002285 0.101760 0.198629 -0.478973 -0.024371 0.000800 -0.006451 -0.023260 0.036310 0.011891 0.303252 0.381679 1.322607 -0.000440 -0.001767 -0.017561 0.264605 0.175337 -0.352123 0.012618 0.017701 -0.007514 0.271484 -0.052997 -0.250812 -0.003815 0.023143 0.017380 0.002608 0.030340 0.002207 -0.133135 -0.032963 0.028854 -0.002745 0.018305 0.003872 -0.008120 0.023148 0.001669 -0.017152 -0.007054 0.041024 0.007918 -0.016066 0.011947 -0.178286 0.064497 0.260569 -0.143927 -0.139688 -0.799434 0.024531 -0.007313 0.001519 -0.162120 0.024112 0.028221 0.011115 -0.006752 0.001193 -0.089868 -0.104208 -0.065746 0.029019 -0.054409 0.028489 0.010400 -0.012522 -0.031760 -0.228936 -0.044019 0.283961 0.010548 -0.012157 -0.004718 0.125397 0.044298 -0.254179 -0.029937 0.024684 0.021021 0.001152 -0.007874 -0.015755 0.007091 0.028134 0.009609 0.185763 0.094605 0.308844 0.124410 0.212285 -0.110023 0.067140 0.131053 -0.101823 -0.006298 0.011642 -0.023579 0.007478 -0.012936 -0.000806 0.000383 0.015755 -0.025925 0.023866 -0.008535 -0.006212 0.003566 -0.008214 0.011386 -0.011983 -0.000717 0.002371 0.157160 0.008017 -0.613973 0.022376 -0.012294 -0.657024 0.090472 0.056227 0.059378 0.005348 0.005360 -0.011855 0.009507 0.007452 0.015044 -0.009031 0.005739 -0.009679 0.178695 -0.097650 -0.081247 -0.004305 0.006744 -0.009228 -0.040408 0.046894 -0.112641 -0.170277 -0.050174 -0.146750 0.023062 -0.031184 0.000738 -0.153646 -0.092486 0.108660 -0.000674 0.012560 -0.006311 0.018740 -0.018185 0.009133 0.003752 0.058820 0.033428 -0.099971 -0.199453 -0.110885 -0.581044 -0.171970 0.390975 0.002485 -0.020811 0.033490 0.019127 0.013622 0.216813 0.029407 0.007963 0.017355 -0.035335 0.025772 -0.132516 -0.024932 0.009923 -0.002493 0.028170 0.006349 0.003730 0.001369 -0.159058 -0.459042 0.000425 0.005524 0.017998 0.022738 -0.016248 -0.018203 0.547857 -0.302652 0.909760 -0.012955 -0.012474 0.011209 0.117508 -0.117080 -0.405732 0.005934 0.005756 -0.005442 0.029366 0.051721 0.115234 0.005263 0.019035 0.007787 -0.021172 -0.033746 -0.042796 -0.014757 0.039263 0.452113 -0.009420 -0.014839 0.022802 0.126810 -0.044486 -0.001854 -0.394612 0.109931 0.161845 0.007576 -0.003698 -0.033972 -0.224013 -0.025755 0.560517 -0.003886 -0.035466 0.015739 -0.243436 -0.023469 -0.152496 -0.010361 -0.002292 0.014254 0.068224 -0.038929 -0.002906 0.103984 0.198428 -0.479627 -0.023652 0.000354 -0.005947 -0.025196 0.034966 0.011049 0.303478 0.381264 1.322592 -0.000084 -0.001747 -0.017816 0.264645 0.175462 -0.352295 0.012307 0.018006 -0.007126 0.271714 -0.052209 -0.251831 -0.003794 0.020849 0.017289 -0.000458 0.032831 0.001275 -0.135515 -0.033008 0.027759 -0.001737 0.017438 0.003409 -0.004096 0.020495 0.000117 -0.030727 0.000920 0.075136 0.002404 -0.016058 0.011312 -0.178352 0.064411 0.260820 -0.144551 -0.139961 -0.796907 0.020788 -0.006540 0.001960 -0.102271 0.012359 0.018818 0.013765 -0.001730 0.005402 -0.090095 -0.103875 -0.066170 0.020216 -0.028327 0.025054 0.007413 -0.015494 -0.023842 -0.228854 -0.044131 0.284508 0.008995 -0.010013 -0.006899 0.125385 0.044230 -0.252548 -0.027710 0.021807 0.020947 -0.001638 -0.006795 -0.014269 0.005747 0.026238 0.007306 0.186134 0.093882 0.309001 0.125085 0.211370 -0.107547 0.066882 0.131484 -0.103036 -0.003847 0.009625 -0.019703 0.009069 -0.012758 -0.003675 -0.001427 0.012917 -0.027844 0.022963 -0.007176 -0.007386 -0.002321 -0.006682 0.008499 -0.011302 -0.000470 0.002162 0.157218 0.007946 -0.614321 0.022430 -0.012380 -0.656170 0.091361 0.056065 0.059280 0.006552 0.005621 -0.011883 0.008884 0.004124 0.014376 -0.007542 0.002480 -0.006236 0.178962 -0.097715 -0.080949 -0.003716 0.004552 -0.009622 -0.040283 0.046722 -0.112290 -0.170209 -0.050254 -0.146596 0.026087 -0.029018 0.002004 -0.152831 -0.092362 0.109510 -0.001055 0.009490 -0.002445 0.015632 -0.008604 0.010962 -0.000767 0.049447 0.028602 -0.099782 -0.200171 -0.112149 -0.578817 -0.171680 0.391294 0.000885 -0.021184 0.034939 0.018534 0.015983 0.215673 0.027856 0.006837 0.014159 -0.035177 0.025753 -0.132008 -0.021248 0.008859 -0.003990 0.024485 0.005204 0.002042 0.002763 -0.159049 -0.458004 0.004615 0.008344 0.015291 0.012324 -0.017915 -0.012874 0.545666 -0.301719 0.909986 -0.011333 -0.007413 0.010861 0.117902 -0.116519 -0.407706 0.006892 0.009070 -0.006452 0.029427 0.052364 0.115354 0.006543 0.013377 0.005354 -0.016554 -0.036678 -0.041960 -0.015786 0.039205 0.451845 -0.012190 -0.013068 0.021266 0.095691 -0.030151 0.007194 -0.394680 0.110058 0.161581 0.007414 -0.002050 -0.036356 -0.223951 -0.028341 0.560143 -0.003086 -0.031766 0.016476 -0.243332 -0.023712 -0.152140 -0.009349 -0.005029 0.011085 0.075479 -0.037037 -0.037857 0.103050 0.198323 -0.479270 -0.021825 -0.002208 -0.005294 -0.026217 0.030952 0.011968 0.304132 0.379413 1.322802 -0.000291 -0.004009 -0.016317 0.264938 0.175024 -0.352398 0.009428 0.018308 -0.007976 0.271875 -0.053254 -0.251675 -0.002907 0.012168 0.015870 -0.001523 0.029167 0.003932 -0.134151 -0.033243 0.027891 -0.000226 0.014374 0.002823 0.000051 0.018067 -0.000725 -0.058136 0.017434 0.137237 -0.007983 -0.014677 0.010700 -0.177832 0.064369 0.260605 -0.145907 -0.140283 -0.791392 0.013518 -0.004984 0.002179 0.022819 -0.009661 -0.000607 0.017092 0.008534 0.009733 -0.090383 -0.103210 -0.066784 0.000850 0.023012 0.019486 0.007376 -0.020581 -0.013930 -0.228073 -0.044128 0.284851 0.006597 -0.005623 -0.011991 0.125722 0.043923 -0.249861 -0.021872 0.014436 0.020025 -0.007087 -0.005323 -0.012575 0.002971 0.023662 0.002704 0.186168 0.093720 0.308960 0.125851 0.210966 -0.102778 0.066423 0.132488 -0.105485 0.000426 0.005285 -0.013717 0.013530 -0.011841 -0.009796 -0.004601 0.007939 -0.031635 0.020774 -0.007384 -0.008845 -0.013364 -0.001732 0.002513 -0.009263 0.000474 0.001438 0.157201 0.008060 -0.615666 0.022398 -0.012485 -0.655554 0.092888 0.055933 0.060028 0.008632 0.006401 -0.012245 0.006087 -0.001529 0.013789 -0.005010 -0.002470 0.000033 0.179076 -0.097882 -0.081093 -0.000827 0.001739 -0.011334 -0.040183 0.046573 -0.112429 -0.170209 -0.050265 -0.146961 0.030209 -0.022244 0.000442 -0.151479 -0.092015 0.110497 -0.002506 0.001396 0.005167 0.007884 0.007356 0.011798 -0.010497 0.032797 0.019037 -0.099573 -0.201597 -0.114641 -0.576367 -0.170663 0.393062 -0.003373 -0.022531 0.039838 0.017237 0.017263 0.214132 0.019044 0.008192 0.007321 -0.034768 0.025658 -0.131823 -0.011519 0.003654 -0.006597 0.018271 0.003201 -0.001521 0.004374 -0.158990 -0.459074 0.008512 0.012285 0.011243 -0.014936 -0.009654 -0.011935 0.543660 -0.299693 0.908802 -0.008141 0.003919 0.014374 0.118912 -0.115585 -0.410866 0.012477 0.007153 -0.000138 0.029093 0.051259 0.114995 0.009895 -0.000309 0.001864 -0.010357 -0.034465 -0.038020 -0.016903 0.039259 0.450716 -0.011697 -0.009814 0.016348 0.024018 0.000323 0.027869 -0.394820 0.110425 0.162011 0.013571 -0.000106 -0.034906 -0.224165 -0.029754 0.560195 -0.000483 -0.020442 0.017040 -0.243024 -0.023790 -0.151962 -0.007093 -0.011219 0.004595 0.090312 -0.044731 -0.098658 0.104248 0.198169 -0.479142 -0.016730 -0.008051 -0.001342 -0.025115 0.019780 0.014368 0.305348 0.375592 1.324680 -0.001804 -0.007474 -0.011319 0.265571 0.174836 -0.351620 0.007324 0.016247 -0.006451 0.271854 -0.052488 -0.252202 -0.001238 -0.004380 0.015573 -0.006124 0.015841 0.006108 -0.134589 -0.033529 0.027692 0.004292 0.005553 0.004310 0.005523 0.012477 -0.001462 -0.112523 0.050550 0.253862 -0.030729 -0.015508 0.012482 -0.177097 0.064446 0.260052 -0.149761 -0.140433 -0.779522 -0.003418 -0.001082 0.005388 0.281371 -0.055981 -0.044610 0.019784 0.027711 0.018541 -0.091221 -0.101008 -0.068022 -0.035172 0.126068 0.006439 0.006762 -0.028258 0.009051 -0.226856 -0.043358 0.285276 0.001961 0.003368 -0.020078 0.127086 0.042975 -0.244716 -0.013822 -0.000160 0.019042 -0.017392 -0.003259 -0.010308 -0.001799 0.017123 -0.006663 0.185508 0.095238 0.309516 0.125958 0.211823 -0.092532 0.064814 0.134904 -0.109907 0.008941 -0.001405 -0.002105 0.020262 -0.008235 -0.022590 -0.011661 -0.001262 -0.040213 0.016135 -0.001947 -0.011634 -0.035776 0.010927 -0.009292 -0.005331 0.003188 0.000008 0.156910 0.008665 -0.618639 0.022005 -0.012215 -0.654525 0.095744 0.056077 0.063288 0.011734 0.007916 -0.012392 -0.000590 -0.011892 0.013638 -0.000103 -0.012591 0.012539 0.178708 -0.098548 -0.081048 0.004292 -0.005620 -0.015832 -0.039647 0.046811 -0.112569 -0.170532 -0.049928 -0.148016 0.038333 -0.008674 -0.000328 -0.149167 -0.090995 0.112664 -0.004091 -0.014235 0.021156 -0.004348 0.041116 0.017395 -0.030817 -0.000083 -0.002884 -0.099887 -0.204865 -0.119246 -0.577175 -0.168707 0.398540 -0.016884 -0.029173 0.050644 0.013659 0.017283 0.212658 0.001417 0.014159 -0.004018 -0.035536 0.025469 -0.131390 0.008159 -0.007155 -0.011755 0.002788 0.000215 -0.004957 0.006996 -0.158300 -0.464709 0.008597 0.020813 0.005797 -0.064619 0.000042 -0.009803 0.544790 -0.294811 0.904051 -0.001376 0.025539 0.020355 0.121361 -0.112518 -0.416275 0.021844 0.001644 0.014610 0.029503 0.050320 0.113652 0.014212 -0.032950 -0.005283 0.002362 -0.030892 -0.035808 -0.019486 0.039794 0.449634 -0.002022 -0.002056 0.008172 -0.111948 0.060137 0.058341 -0.396153 0.112133 0.166188 0.024167 0.001616 -0.033434 -0.224976 -0.029184 0.561727 0.003461 -0.000695 0.018230 -0.243842 -0.023117 -0.151903 -0.002744 -0.021616 -0.006102 0.128344 -0.061352 -0.215739 0.107230 0.198120 -0.479315 -0.007482 -0.018386 0.008256 -0.021023 -0.000360 0.012507 0.308208 0.368076 1.329048 -0.004836 -0.016051 0.001771 0.266403 0.174127 -0.349024 0.002751 0.014911 -0.004620 0.272499 -0.051423 -0.253543 0.001988 -0.036564 0.017053 -0.013261 -0.018996 0.005122 -0.136901 -0.033673 0.027115 0.016396 -0.012561 0.006928 0.018563 -0.001225 -0.005388 -0.081111 0.030962 0.187397 -0.017178 -0.014628 0.011425 -0.177324 0.064460 0.259968 -0.147551 -0.140136 -0.786262 0.007419 -0.003488 0.003495 0.126541 -0.028696 -0.021106 0.017917 0.016608 0.012791 -0.090553 -0.102076 -0.067248 -0.013929 0.064675 0.014112 0.006124 -0.020446 -0.002632 -0.227356 -0.043600 0.284563 0.004524 -0.001497 -0.015858 0.126533 0.043538 -0.247775 -0.016668 0.007665 0.019544 -0.011329 -0.004873 -0.011964 0.001070 0.020730 -0.001420 0.185680 0.094748 0.308901 0.125865 0.211925 -0.098511 0.066001 0.133625 -0.107630 0.003826 0.003543 -0.008998 0.016625 -0.009439 -0.015449 -0.007271 0.004255 -0.036360 0.017577 -0.006206 -0.008674 -0.021644 0.004798 -0.001404 -0.007490 0.002289 -0.000041 0.157249 0.008408 -0.617529 0.022445 -0.012235 -0.655322 0.094134 0.056149 0.061971 0.009780 0.007097 -0.012835 0.002799 -0.004734 0.014746 -0.002632 -0.006789 0.005317 0.178910 -0.098154 -0.081392 0.000739 -0.001465 -0.013389 -0.039884 0.046828 -0.112759 -0.170317 -0.050036 -0.147808 0.035304 -0.016624 -0.000169 -0.150464 -0.091519 0.110878 -0.003327 -0.005774 0.012733 0.003635 0.020672 0.014212 -0.020737 0.020119 0.010387 -0.099542 -0.203159 -0.116557 -0.577929 -0.170002 0.396272 -0.009787 -0.027173 0.044408 0.015830 0.016309 0.214098 0.009720 0.012377 0.002499 -0.035157 0.025394 -0.132070 -0.001079 -0.002119 -0.008838 0.012493 0.001535 -0.003238 0.006393 -0.158628 -0.462987 0.007081 0.016061 0.008741 -0.040578 0.000435 -0.012933 0.545695 -0.297495 0.905120 -0.006468 0.012260 0.013064 0.120069 -0.114149 -0.412820 0.017469 0.004463 0.008037 0.029455 0.051578 0.114222 0.012551 -0.016931 -0.000981 -0.008742 -0.032946 -0.037461 -0.018570 0.039543 0.449928 -0.004272 -0.006774 0.011555 -0.036083 0.023470 0.042515 -0.395540 0.111457 0.164181 0.021652 0.000170 -0.031171 -0.224097 -0.028276 0.561313 0.001740 -0.010489 0.016129 -0.243447 -0.023053 -0.152393 -0.005535 -0.017462 -0.000885 0.109112 -0.055785 -0.151450 0.106612 0.198317 -0.479584 -0.010643 -0.013130 0.004760 -0.020375 0.010956 0.015916 0.306778 0.372439 1.327419 -0.005359 -0.011133 -0.002161 0.265739 0.174845 -0.350127 0.004726 0.014584 -0.005162 0.272334 -0.052564 -0.253232 0.000319 -0.017380 0.016715 -0.007364 -0.001186 0.006683 -0.136396 -0.033392 0.027331 0.008410 -0.002981 0.007013 0.008859 0.009339 -0.003770 -0.016948 0.007177 0.029787 -0.018435 -0.011566 0.013670 -0.177694 0.064347 0.260254 -0.149078 -0.140628 -0.783396 0.003910 -0.002853 0.004224 0.145542 -0.036461 -0.022907 0.017745 0.019190 0.013417 -0.091322 -0.101778 -0.067730 -0.018845 0.070437 0.010334 0.005203 -0.018949 0.003227 -0.227557 -0.043498 0.285212 0.003077 -0.000346 -0.012930 0.126044 0.043380 -0.247227 -0.003758 0.011255 0.010239 -0.011837 -0.003918 -0.009790 -0.000042 0.017408 -0.001886 0.185835 0.094564 0.308979 0.126529 0.211905 -0.097577 0.064793 0.134179 -0.108445 0.004883 0.001663 -0.004840 0.016628 -0.008514 -0.016144 -0.008064 0.001950 -0.035185 0.017733 -0.003577 -0.010500 -0.026479 0.006201 -0.004811 -0.006552 0.001806 -0.000008 0.156928 0.008430 -0.617825 0.022203 -0.012302 -0.654915 0.095050 0.056334 0.061609 0.009447 0.006658 -0.012191 0.001302 -0.006459 0.012791 -0.002391 -0.007441 0.006273 0.178824 -0.098181 -0.080980 0.000160 -0.002334 -0.012234 -0.040363 0.046700 -0.112464 -0.170699 -0.049964 -0.147737 0.033086 -0.013966 0.000078 -0.149707 -0.091609 0.111815 -0.003884 -0.008284 0.014353 0.000576 0.022136 0.014331 -0.020717 0.015538 0.005542 -0.099980 -0.203290 -0.116168 -0.576216 -0.169590 0.395587 -0.010172 -0.026266 0.042289 0.015608 0.018075 0.213300 0.010350 0.011714 0.000279 -0.035029 0.025286 -0.131873 -0.000097 -0.001197 -0.009807 0.008347 0.000144 -0.006489 0.004447 -0.158658 -0.461657 0.009289 0.015834 0.008176 -0.036481 -0.008745 -0.011380 0.543505 -0.297363 0.906914 -0.003069 0.014649 0.020774 0.119522 -0.113997 -0.414221 0.017692 0.005968 0.007233 0.028592 0.050130 0.114538 0.012408 -0.016570 -0.002074 -0.002001 -0.040429 -0.037375 -0.017035 0.039549 0.449185 -0.006171 -0.006372 0.013211 -0.035567 0.031392 0.043731 -0.395750 0.111102 0.164809 0.020546 0.001964 -0.036754 -0.224624 -0.030015 0.560665 0.000783 -0.009540 0.017496 -0.243385 -0.023055 -0.151972 -0.005019 -0.016311 -0.001735 0.035360 -0.031266 0.019167 0.105432 0.198397 -0.479162 -0.010638 -0.012493 0.003129 -0.025028 0.009648 0.015117 0.306486 0.372293 1.328467 -0.002107 -0.010118 -0.007825 0.265756 0.174718 -0.350729 0.004677 0.016060 -0.006832 0.271704 -0.051064 -0.253033 -0.000988 -0.019116 0.015426 -0.012347 0.001956 0.007730 -0.135519 -0.033473 0.027504 0.010488 -0.001960 0.004365 0.015104 0.003380 -0.004419 0.075497 -0.028095 -0.187230 -0.020625 -0.010423 0.009636 -0.177503 0.064236 0.259974 -0.150732 -0.141040 -0.779099 -0.001825 -0.000963 0.004076 0.174306 -0.049333 -0.030525 0.016422 0.021236 0.013795 -0.091639 -0.101450 -0.068436 -0.025237 0.076410 0.003796 0.005750 -0.018714 0.010494 -0.227243 -0.043304 0.285269 0.001157 0.001293 -0.010275 0.126958 0.043151 -0.245880 0.014769 0.016866 -0.003117 -0.011992 -0.002059 -0.007558 -0.000842 0.011764 -0.002169 0.185718 0.095536 0.309416 0.126695 0.212597 -0.095849 0.064293 0.134856 -0.109235 0.005666 -0.000396 -0.000661 0.017743 -0.006649 -0.016944 -0.009091 -0.000834 -0.033860 0.016446 -0.001129 -0.011542 -0.030828 0.010778 -0.008137 -0.004859 0.001022 -0.001140 0.156972 0.008465 -0.618662 0.022111 -0.012389 -0.654531 0.096387 0.056652 0.062643 0.009585 0.006524 -0.011501 -0.002000 -0.007455 0.011379 -0.001326 -0.009311 0.007863 0.178808 -0.098719 -0.080846 -0.000217 -0.002909 -0.011889 -0.039817 0.046639 -0.112658 -0.170687 -0.049910 -0.148084 0.031828 -0.009910 -0.000725 -0.148859 -0.091798 0.112219 -0.004810 -0.010638 0.017200 -0.002714 0.024879 0.015186 -0.021499 0.009732 -0.000404 -0.100374 -0.203876 -0.115805 -0.577191 -0.169065 0.396789 -0.012230 -0.025296 0.036975 0.015305 0.015772 0.213276 0.004923 0.015216 -0.004553 -0.035131 0.024944 -0.131764 0.007193 -0.001138 -0.011199 0.003059 -0.005263 -0.007178 0.004223 -0.158686 -0.465348 0.009068 0.016239 0.009369 -0.030297 -0.011679 -0.015529 0.544942 -0.296385 0.905743 -0.001264 0.017842 0.022620 0.120242 -0.113122 -0.415942 0.019090 0.003545 0.011726 0.028897 0.049140 0.113847 0.011275 -0.020068 -0.004035 0.003134 -0.035556 -0.032648 -0.016806 0.039746 0.448729 -0.004163 -0.003433 0.008909 -0.055833 0.043226 0.049792 -0.396403 0.111288 0.165782 0.022925 0.002788 -0.030666 -0.225271 -0.027712 0.560751 0.001603 -0.003941 0.016326 -0.243647 -0.022759 -0.151993 -0.003400 -0.019714 -0.005688 -0.078081 0.014671 0.254331 0.106580 0.198326 -0.479458 -0.007282 -0.011499 0.006287 -0.024304 0.004693 0.011701 0.307299 0.371509 1.330443 -0.003571 -0.010208 -0.003285 0.266296 0.174386 -0.350378 0.005241 0.015612 -0.005093 0.272119 -0.050142 -0.253423 -0.000009 -0.021360 0.014506 -0.015396 -0.008327 0.006676 -0.136492 -0.033732 0.027104 0.011724 -0.005977 0.005207 0.019241 -0.005217 -0.004891 0.054623 -0.020849 -0.136156 -0.019885 -0.011052 0.009818 -0.177646 0.064084 0.260340 -0.150202 -0.140961 -0.779968 0.000026 -0.000902 0.003690 0.167426 -0.047138 -0.030725 0.016773 0.020937 0.013860 -0.091296 -0.101717 -0.067938 -0.023200 0.074464 0.005448 0.006156 -0.019271 0.007900 -0.227385 -0.043283 0.285510 0.001728 0.000906 -0.010573 0.126875 0.043224 -0.245813 0.010856 0.015911 0.000493 -0.011863 -0.002761 -0.007729 -0.000518 0.012951 -0.001733 0.186187 0.095273 0.309538 0.126928 0.212700 -0.096381 0.064775 0.134603 -0.109080 0.005402 0.000240 -0.001213 0.017810 -0.006683 -0.016342 -0.008569 0.000076 -0.034153 0.014676 -0.002837 -0.010572 -0.029079 0.010728 -0.006363 -0.005300 0.001381 -0.001252 0.157232 0.008326 -0.618580 0.022478 -0.012374 -0.654361 0.096332 0.056475 0.062645 0.009885 0.006683 -0.011676 -0.001255 -0.007018 0.012991 -0.001325 -0.009099 0.008012 0.179165 -0.098691 -0.080619 0.000252 -0.002699 -0.012238 -0.039828 0.046607 -0.112363 -0.170525 -0.049998 -0.147627 0.033139 -0.011115 -0.000094 -0.149074 -0.091782 0.112112 -0.004412 -0.010249 0.017428 -0.000153 0.022888 0.015843 -0.021840 0.011203 0.001608 -0.099974 -0.203911 -0.115826 -0.576936 -0.169151 0.396793 -0.013411 -0.026047 0.035699 0.015295 0.016862 0.212972 0.002683 0.014467 -0.005698 -0.034823 0.024871 -0.131381 0.008199 -0.002855 -0.011603 0.004581 -0.004721 -0.005059 0.003665 -0.158812 -0.464035 0.006655 0.013570 0.003639 -0.032950 -0.005102 -0.015617 0.544969 -0.296541 0.902908 -0.002488 0.017395 0.016587 0.120639 -0.112980 -0.416022 0.019069 0.002496 0.012540 0.029019 0.049991 0.114546 0.010832 -0.022160 -0.004978 0.000835 -0.027889 -0.031315 -0.015668 0.039669 0.448903 -0.000228 -0.004220 0.006649 -0.057578 0.041189 0.050129 -0.396132 0.111260 0.165582 0.023480 0.002672 -0.028078 -0.225065 -0.029039 0.560368 0.002614 -0.001548 0.014082 -0.243440 -0.022809 -0.151486 -0.003212 -0.020316 -0.007268 -0.062103 0.011455 0.204462 0.106165 0.198304 -0.479121 -0.005581 -0.011226 0.006533 -0.019497 0.004604 0.013241 0.307335 0.371496 1.330134 -0.004459 -0.010961 -0.000897 0.266451 0.174243 -0.350538 0.005075 0.014276 -0.004388 0.272245 -0.051116 -0.252820 0.000066 -0.019703 0.013622 -0.011072 -0.014269 0.004717 -0.135656 -0.033795 0.027567 0.010612 -0.006924 0.005671 0.014419 -0.001898 -0.004901 0.056934 -0.021535 -0.148070 -0.016519 -0.007380 0.008333 -0.177554 0.064296 0.259738 -0.151400 -0.141166 -0.776612 -0.001779 -0.000908 0.003435 0.140862 -0.040876 -0.018690 0.014698 0.019292 0.012106 -0.091741 -0.101134 -0.068235 -0.025174 0.061161 0.000762 0.005873 -0.016363 0.012742 -0.227152 -0.043069 0.285163 0.000639 0.001109 -0.006728 0.127404 0.043138 -0.246043 0.012287 0.018098 -0.001101 -0.010020 -0.000679 -0.006125 -0.000688 0.008680 -0.001332 0.186132 0.095845 0.309471 0.126947 0.212946 -0.097084 0.063790 0.135264 -0.109909 0.004417 -0.000605 0.000765 0.016841 -0.006003 -0.015468 -0.008295 -0.002023 -0.031545 0.016774 -0.000890 -0.011069 -0.030476 0.012943 -0.010174 -0.004142 0.000477 -0.002285 0.157099 0.008502 -0.619535 0.022254 -0.012229 -0.654781 0.096791 0.056985 0.063269 0.008346 0.006055 -0.011276 -0.002738 -0.006213 0.009751 -0.001297 -0.008541 0.006480 0.179049 -0.098753 -0.080777 -0.002071 -0.002407 -0.010365 -0.039745 0.046739 -0.112678 -0.170727 -0.049748 -0.148219 0.028575 -0.008458 -0.001675 -0.148503 -0.091843 0.112016 -0.004833 -0.010054 0.015529 -0.003139 0.020411 0.014040 -0.018214 0.013576 -0.001749 -0.100448 -0.203755 -0.114539 -0.578832 -0.168863 0.396766 -0.013674 -0.026141 0.031951 0.015710 0.014775 0.213259 0.005775 0.016775 -0.006923 -0.035199 0.025365 -0.131965 0.010291 -0.000841 -0.012542 0.002993 -0.008276 -0.008942 0.004817 -0.158680 -0.466868 0.010480 0.014498 0.008231 -0.017523 -0.011626 -0.019102 0.546754 -0.296119 0.906018 -0.001428 0.018119 0.020480 0.120310 -0.112324 -0.416761 0.019033 0.004692 0.012795 0.028913 0.050070 0.113988 0.010478 -0.016487 -0.004548 0.003346 -0.036463 -0.031457 -0.017335 0.039882 0.448848 -0.004292 -0.002921 0.004968 -0.043066 0.037920 0.048821 -0.396789 0.111309 0.165663 0.023663 0.002913 -0.025547 -0.225368 -0.026597 0.560476 0.001942 -0.001304 0.015273 -0.243829 -0.022911 -0.151966 -0.002673 -0.021452 -0.007656 -0.050804 0.002304 0.221295 0.105320 0.198595 -0.479815 -0.008433 -0.009260 0.008928 -0.026587 0.003924 0.009449 0.307510 0.372453 1.330855 -0.003737 -0.008116 0.000082 0.266435 0.174082 -0.350858 0.006064 0.014528 -0.004435 0.272269 -0.050713 -0.253580 0.000192 -0.018584 0.012639 -0.016211 -0.008781 0.007298 -0.135009 -0.033629 0.027165 0.011201 -0.006413 0.006132 0.018235 -0.006586 -0.005951 0.073502 -0.031388 -0.186653 -0.006980 0.002994 0.005350 -0.176789 0.063722 0.259664 -0.154943 -0.142402 -0.767275 -0.005970 0.000469 0.002008 0.058942 -0.023719 0.000685 0.007409 0.015330 0.005768 -0.092595 -0.100574 -0.068561 -0.023939 0.025815 -0.012538 0.005823 -0.007799 0.025222 -0.226182 -0.042584 0.285903 -0.003247 0.001951 0.008689 0.127578 0.042586 -0.244883 0.015112 0.023679 -0.003254 -0.003155 0.004203 0.002765 -0.001399 -0.005131 0.002785 0.185949 0.095890 0.309087 0.129815 0.214432 -0.096439 0.061807 0.136549 -0.110449 0.003387 -0.002901 0.010433 0.016763 -0.001431 -0.011830 -0.006523 -0.006325 -0.022131 0.016410 0.000612 -0.010782 -0.032705 0.021433 -0.015071 -0.000195 -0.001638 -0.005265 0.157216 0.008370 -0.621236 0.022274 -0.012582 -0.652496 0.100521 0.058239 0.064011 0.005530 0.004020 -0.006469 -0.008793 -0.003452 0.005796 -0.000578 -0.006871 0.003477 0.178981 -0.099332 -0.080151 -0.007525 -0.001135 -0.005034 -0.039694 0.046419 -0.112446 -0.170685 -0.049673 -0.148727 0.022976 -0.004242 0.000310 -0.146212 -0.092877 0.113205 -0.005199 -0.010142 0.014139 -0.004371 0.004764 0.011955 -0.008846 0.021231 -0.007418 -0.101056 -0.204021 -0.108806 -0.573205 -0.168097 0.397861 -0.012819 -0.022939 0.008386 0.016226 0.016243 0.214869 -0.000893 0.013530 -0.017388 -0.034618 0.024448 -0.131227 0.023164 -0.001939 -0.016055 -0.001098 -0.018534 -0.014063 0.005745 -0.158667 -0.467495 0.006666 0.004847 -0.001938 0.028378 -0.000597 -0.025337 0.542149 -0.295784 0.902734 0.004522 0.014929 0.016070 0.121323 -0.110584 -0.419140 0.016297 -0.000197 0.017832 0.028683 0.049008 0.113684 0.002897 -0.009769 -0.006137 0.004261 -0.022285 -0.020563 -0.017212 0.040212 0.445834 0.002069 0.000060 -0.001634 -0.023698 0.028988 0.042344 -0.396614 0.110407 0.170133 0.023398 0.005442 -0.009839 -0.227204 -0.028226 0.559536 0.002596 0.014497 0.012098 -0.243680 -0.022359 -0.150938 0.002019 -0.021947 -0.013845 -0.071829 0.017248 0.239879 0.108007 0.198328 -0.478958 -0.003340 0.000669 0.011803 -0.020252 -0.004964 0.006688 0.306536 0.374932 1.336935 -0.003974 -0.001703 0.008712 0.268166 0.173223 -0.350925 0.008002 0.007063 0.002943 0.272508 -0.049650 -0.253493 0.000307 -0.007922 0.004095 -0.015587 -0.027101 0.006611 -0.136763 -0.034232 0.027460 0.009836 -0.006752 0.005709 0.016618 -0.022314 -0.006580 0.115498 -0.053098 -0.284609 0.013132 0.017629 0.000864 -0.175890 0.063263 0.258612 -0.162331 -0.144571 -0.748680 -0.013279 0.001738 -0.000816 -0.125711 0.001481 0.044044 -0.004199 0.005670 -0.002889 -0.094807 -0.098846 -0.069805 -0.020959 -0.050619 -0.042515 0.005570 0.008960 0.050935 -0.224644 -0.041529 0.286453 -0.012895 0.003046 0.036131 0.128388 0.041628 -0.243529 0.021309 0.033901 -0.007320 0.008914 0.014303 0.018274 -0.003494 -0.028392 0.008681 0.185334 0.096824 0.308528 0.133758 0.217140 -0.096518 0.056953 0.139499 -0.112803 0.001401 -0.004979 0.028402 0.013083 0.006768 -0.004325 -0.001936 -0.016053 -0.003945 0.015784 0.007953 -0.010830 -0.039066 0.035803 -0.027454 0.007229 -0.005945 -0.012495 0.156900 0.008369 -0.625268 0.021686 -0.012787 -0.649724 0.106424 0.060733 0.065898 -0.001126 -0.000030 0.001014 -0.021324 0.001218 -0.004134 -0.000092 -0.004282 -0.002772 0.178481 -0.100132 -0.079544 -0.019802 0.001245 0.005805 -0.039815 0.046148 -0.112729 -0.171276 -0.049127 -0.150544 0.010719 0.006647 0.001108 -0.142166 -0.094438 0.114593 -0.005820 -0.010958 0.009822 -0.005620 -0.024992 0.004743 0.011354 0.031538 -0.019524 -0.102922 -0.204038 -0.098552 -0.568495 -0.166661 0.399075 -0.015543 -0.021668 -0.028929 0.017064 0.015785 0.216281 -0.009246 0.011831 -0.037765 -0.034285 0.023579 -0.131186 0.047677 -0.000873 -0.021603 -0.011923 -0.041410 -0.028083 0.008700 -0.158560 -0.472778 0.008324 -0.010623 -0.012132 0.122381 0.005166 -0.038197 0.538082 -0.294801 0.900270 0.017751 0.015578 0.014130 0.122168 -0.106888 -0.424584 0.012692 -0.002253 0.024218 0.027397 0.048600 0.112222 -0.009361 0.008642 -0.009529 0.017769 0.003722 0.000795 -0.019943 0.041097 0.440843 0.012363 0.004952 -0.019515 0.026582 0.016296 0.033305 -0.398200 0.109331 0.177671 0.024470 0.010616 0.009233 -0.230639 -0.027497 0.557123 0.003213 0.036302 0.009039 -0.244332 -0.021368 -0.150400 0.009844 -0.024618 -0.023348 -0.100152 0.044178 0.324728 0.109809 0.198656 -0.479212 0.004276 0.021096 0.018332 -0.016007 -0.020242 0.001631 0.305415 0.380112 1.345693 -0.001034 0.014404 0.027682 0.270454 0.171828 -0.352365 0.012010 -0.003258 0.013959 0.272508 -0.048289 -0.254963 -0.000115 0.011492 -0.009695 -0.025206 -0.056582 0.011531 -0.138110 -0.034975 0.027272 0.011295 -0.007724 0.006187 0.017610 -0.051658 -0.009519 -0.001526 -0.006973 -0.044875 0.013775 0.018747 -0.001616 -0.175855 0.063153 0.258414 -0.163754 -0.144863 -0.744564 -0.012702 0.002331 -0.001642 -0.131082 0.015796 0.056879 -0.005182 0.003315 -0.005758 -0.094854 -0.097646 -0.069463 -0.015760 -0.058812 -0.041243 0.005369 0.010949 0.048475 -0.224355 -0.040955 0.286570 -0.014006 0.002497 0.038664 0.128615 0.041059 -0.243540 -0.000375 0.024474 0.007554 0.010019 0.015826 0.020344 -0.002819 -0.031072 0.008926 0.185488 0.097190 0.308370 0.134306 0.218718 -0.097200 0.056458 0.140479 -0.114084 -0.000055 -0.005621 0.030235 0.010444 0.008861 -0.003070 -0.001695 -0.017172 -0.000082 0.018000 0.006250 -0.010682 -0.040268 0.035637 -0.028554 0.008871 -0.006559 -0.013971 0.156773 0.008539 -0.627498 0.021624 -0.012618 -0.649553 0.107398 0.061199 0.066764 -0.002086 -0.000839 0.001839 -0.022320 0.001617 -0.006066 0.000274 -0.003433 -0.004108 0.178445 -0.100210 -0.079608 -0.021236 0.001748 0.008064 -0.039822 0.046194 -0.112669 -0.171422 -0.048783 -0.151055 0.010806 0.007270 0.002046 -0.141836 -0.094052 0.114442 -0.004559 -0.010178 0.007810 -0.004730 -0.028911 0.002889 0.010212 0.034082 -0.022411 -0.103401 -0.204775 -0.097328 -0.567950 -0.166528 0.399085 -0.014010 -0.019801 -0.034871 0.017736 0.015952 0.216072 -0.012407 0.009475 -0.035588 -0.034550 0.023410 -0.131624 0.048060 0.000469 -0.020260 -0.016852 -0.042259 -0.029462 0.007758 -0.158269 -0.474035 0.008245 -0.012204 -0.013745 0.122239 0.007539 -0.035221 0.537572 -0.294008 0.900186 0.021939 0.012541 0.013063 0.122096 -0.105901 -0.425619 0.010515 -0.003224 0.023915 0.027024 0.049038 0.112057 -0.010014 0.008751 -0.010082 0.017413 0.006646 0.007642 -0.019049 0.041395 0.439831 0.011999 0.006126 -0.022894 0.032418 0.006349 0.032073 -0.398703 0.108628 0.177743 0.022997 0.010829 0.016823 -0.230684 -0.026929 0.557150 0.001859 0.040050 0.007888 -0.244667 -0.020889 -0.150542 0.011075 -0.024226 -0.022264 0.043924 -0.012468 0.057723 0.108436 0.199036 -0.479231 0.008687 0.022258 0.017576 -0.014187 -0.019737 0.000122 0.304817 0.380595 1.350135 -0.001293 0.015350 0.026437 0.270307 0.171891 -0.352585 0.011925 -0.004193 0.014866 0.272461 -0.048222 -0.255252 -0.001422 0.015506 -0.011327 -0.021252 -0.048779 0.013349 -0.136730 -0.034900 0.027356 0.005048 -0.008128 0.006506 0.016045 -0.053628 -0.010639 -0.033035 0.005744 0.017282 0.014128 0.019251 -0.002327 -0.175662 0.062995 0.258035 -0.164566 -0.144971 -0.743706 -0.013005 0.002343 -0.001774 -0.133853 0.021441 0.061554 -0.005747 0.001875 -0.006605 -0.094896 -0.097268 -0.069654 -0.014400 -0.061222 -0.041526 0.005458 0.015849 0.047732 -0.224092 -0.040660 0.286303 -0.014258 0.002253 0.038963 0.128735 0.040731 -0.243749 -0.005933 0.021773 0.011286 0.010581 0.015684 0.020729 -0.002571 -0.031785 0.008774 0.185092 0.097849 0.308257 0.134333 0.219710 -0.096950 0.056275 0.140766 -0.114100 -0.000289 -0.005373 0.030561 0.009529 0.009683 -0.002673 -0.001615 -0.017476 0.000801 0.018454 0.006118 -0.010735 -0.040575 0.034034 -0.029164 0.009431 -0.006667 -0.014062 0.156775 0.008557 -0.627874 0.021594 -0.012559 -0.649783 0.107844 0.061333 0.066900 -0.002725 -0.001042 0.001840 -0.023501 0.001927 -0.007376 0.000509 -0.003054 -0.005090 0.178203 -0.100422 -0.079794 -0.021743 0.001756 0.009352 -0.039842 0.046213 -0.112856 -0.171493 -0.048680 -0.151412 0.008365 0.006780 0.001563 -0.141766 -0.093974 0.114391 -0.004478 -0.009856 0.007120 -0.005392 -0.029388 0.002925 0.010098 0.033301 -0.022854 -0.103597 -0.205140 -0.097046 -0.568671 -0.166401 0.398607 -0.013964 -0.019070 -0.035459 0.017911 0.015316 0.215511 -0.011426 0.009243 -0.035939 -0.034702 0.023153 -0.132031 0.048451 0.001069 -0.021076 -0.017982 -0.043097 -0.030290 0.007401 -0.158211 -0.475167 0.006936 -0.012037 -0.012675 0.123046 0.004282 -0.034195 0.538510 -0.293972 0.898608 0.023400 0.012178 0.017767 0.121925 -0.105869 -0.426424 0.010666 -0.002797 0.023399 0.026996 0.047662 0.111708 -0.009417 0.009803 -0.011402 0.019465 0.002162 0.007642 -0.018784 0.041448 0.439410 0.013491 0.007421 -0.023660 0.036612 0.005613 0.032549 -0.398905 0.108593 0.177539 0.022696 0.009632 0.014644 -0.230712 -0.026159 0.556602 0.001032 0.040020 0.008529 -0.244790 -0.020545 -0.150854 0.010966 -0.024411 -0.022431 0.083014 -0.030709 0.003766 0.110499 0.199075 -0.479458 0.006520 0.021968 0.017251 -0.018994 -0.017990 0.000279 0.304691 0.380743 1.348954 -0.001446 0.015916 0.024260 0.270234 0.171991 -0.353281 0.012674 -0.003135 0.014141 0.272452 -0.046690 -0.255622 -0.001572 0.016503 -0.011898 -0.023152 -0.044110 0.014606 -0.138925 -0.034833 0.027131 0.005269 -0.007779 0.005800 0.022217 -0.054408 -0.010101 -0.099793 0.032471 0.149576 0.015195 0.019945 -0.002712 -0.175886 0.062839 0.258306 -0.164983 -0.145298 -0.741529 -0.013349 0.002025 -0.001258 -0.140797 0.032617 0.070489 -0.006097 0.000311 -0.008545 -0.094996 -0.096746 -0.068849 -0.011839 -0.065850 -0.040563 0.005726 0.017176 0.046401 -0.224217 -0.040578 0.286792 -0.014422 0.001985 0.040361 0.128303 0.040576 -0.243437 -0.017579 0.016727 0.019903 0.010962 0.016993 0.022995 -0.002881 -0.033376 0.008842 0.185727 0.096655 0.307967 0.135262 0.219294 -0.097786 0.055927 0.141148 -0.115148 -0.001045 -0.006636 0.032520 0.008315 0.009195 -0.001580 -0.001192 -0.018231 0.003015 0.019115 0.005196 -0.010927 -0.041272 0.033285 -0.030380 0.010369 -0.007157 -0.014100 0.156679 0.008576 -0.628879 0.021634 -0.012644 -0.648662 0.108496 0.061597 0.066838 -0.002897 -0.001694 0.002953 -0.023016 0.002282 -0.009306 0.000881 -0.002561 -0.006139 0.178452 -0.100311 -0.079548 -0.022373 0.001779 0.011059 -0.040156 0.046054 -0.112432 -0.171593 -0.048631 -0.151353 0.007510 0.006167 0.001997 -0.141556 -0.093968 0.114697 -0.003946 -0.008997 0.005367 -0.004525 -0.031230 0.001616 0.010430 0.033859 -0.025703 -0.103742 -0.205590 -0.095971 -0.565254 -0.166474 0.399035 -0.013822 -0.019122 -0.038787 0.018073 0.018158 0.216135 -0.011589 0.007335 -0.035250 -0.034364 0.023481 -0.131610 0.049581 0.003001 -0.021182 -0.020645 -0.043326 -0.031007 0.007877 -0.158187 -0.473009 0.010568 -0.013038 -0.015349 0.124204 0.007571 -0.032368 0.534878 -0.293553 0.901317 0.024033 0.011518 0.013935 0.121871 -0.105230 -0.426419 0.009371 -0.002628 0.023295 0.026449 0.050725 0.112386 -0.009074 0.010994 -0.011836 0.022530 0.005189 0.009947 -0.019033 0.041491 0.438469 0.008179 0.007252 -0.022851 0.035841 0.003375 0.030378 -0.398775 0.108124 0.178109 0.022979 0.013406 0.015076 -0.230632 -0.028837 0.557084 0.002362 0.041762 0.008099 -0.244626 -0.020991 -0.150209 0.012286 -0.025786 -0.021351 0.159311 -0.054473 -0.151386 0.106441 0.199166 -0.478941 0.009857 0.022571 0.016801 -0.015045 -0.019595 -0.000357 0.304110 0.380963 1.353694 -0.001683 0.017285 0.021821 0.270195 0.171557 -0.352915 0.011299 -0.004866 0.014737 0.272164 -0.049852 -0.255106 -0.002072 0.017483 -0.013215 -0.020414 -0.045180 0.014320 -0.134651 -0.035004 0.027630 0.001148 -0.007660 0.005738 0.021239 -0.057855 -0.011749 -0.106873 0.038281 0.157828 0.011150 0.019063 -0.003401 -0.175691 0.062989 0.257989 -0.165835 -0.145480 -0.739288 -0.011420 0.001620 -0.000824 -0.084156 0.026783 0.058350 -0.005723 -0.003246 -0.008653 -0.094277 -0.094918 -0.067892 -0.005874 -0.053862 -0.033271 0.007506 0.010641 0.034903 -0.223947 -0.040593 0.286681 -0.012705 0.000475 0.034506 0.129386 0.038379 -0.243367 -0.021636 0.010771 0.021757 0.009408 0.015195 0.022326 -0.001316 -0.031042 0.008269 0.184618 0.098274 0.309053 0.133699 0.221331 -0.096275 0.055626 0.141853 -0.114914 0.000664 -0.006633 0.028704 0.004536 0.008733 -0.000043 -0.000159 -0.017699 0.005144 0.018010 0.000618 -0.009979 -0.042333 0.028012 -0.028810 0.011521 -0.006353 -0.012186 0.156432 0.008741 -0.629490 0.021106 -0.012704 -0.648523 0.108116 0.061256 0.069149 -0.002545 -0.002046 0.004461 -0.022720 0.001537 -0.010705 0.001457 -0.002472 -0.005093 0.177772 -0.100793 -0.079409 -0.019787 0.001128 0.012846 -0.039669 0.045905 -0.112070 -0.171770 -0.048402 -0.152091 0.006245 0.001973 0.000435 -0.142002 -0.093040 0.114591 -0.003279 -0.005721 0.006361 -0.002977 -0.027898 0.000348 0.006406 0.032471 -0.026259 -0.104808 -0.207265 -0.096547 -0.568585 -0.166674 0.399642 -0.013223 -0.014764 -0.036817 0.018605 0.013516 0.215802 -0.013024 0.006719 -0.028976 -0.035361 0.022386 -0.131890 0.045436 0.000610 -0.017869 -0.023823 -0.036112 -0.024846 0.007960 -0.158048 -0.477694 0.007710 -0.012556 -0.009663 0.102672 0.007764 -0.027593 0.538028 -0.292944 0.898506 0.023608 0.010378 0.014594 0.122017 -0.105154 -0.427309 0.007553 -0.005333 0.021495 0.026978 0.047368 0.111379 -0.008802 0.009302 -0.012980 0.024603 0.009208 0.012126 -0.020008 0.041760 0.438823 0.008929 0.008161 -0.025353 0.018612 0.007753 0.032764 -0.399627 0.107410 0.179677 0.020579 0.013165 0.017343 -0.230784 -0.023685 0.557068 0.000393 0.040086 0.005087 -0.245602 -0.019918 -0.150513 0.011704 -0.021216 -0.017314 0.162464 -0.061143 -0.164248 0.110150 0.198939 -0.479350 0.008349 0.019765 0.014644 -0.008011 -0.016764 -0.000857 0.303630 0.380009 1.351355 -0.000479 0.016256 0.022959 0.269963 0.172111 -0.353041 0.010013 -0.006516 0.014813 0.272631 -0.046434 -0.255689 -0.003386 0.014269 -0.014957 -0.016475 -0.035782 0.014951 -0.139070 -0.035186 0.027325 0.000101 -0.008401 0.004634 0.021417 -0.056167 -0.012640 -0.121192 0.054168 0.165582 -0.002686 0.011215 -0.004091 -0.174733 0.062189 0.257569 -0.166932 -0.146175 -0.733988 -0.004734 0.001108 0.002136 0.074664 0.018674 0.024161 -0.000280 -0.018268 -0.010193 -0.091658 -0.089909 -0.064892 0.012868 -0.019708 -0.006985 0.011431 0.004029 0.001005 -0.222485 -0.039971 0.286843 -0.009251 -0.002726 0.016161 0.130589 0.033365 -0.243542 -0.031243 -0.006955 0.028796 0.005387 0.011007 0.023732 0.004234 -0.024773 0.005858 0.184673 0.098486 0.309434 0.133901 0.224888 -0.095393 0.056200 0.143696 -0.117259 0.001972 -0.007836 0.021982 -0.005661 0.009274 0.004069 0.003692 -0.016263 0.010874 0.014398 -0.016317 -0.006108 -0.040707 0.011548 -0.022747 0.015560 -0.005776 -0.008569 0.156845 0.008772 -0.633299 0.021428 -0.012874 -0.646273 0.109471 0.060931 0.072066 0.000094 -0.003776 0.007023 -0.017770 0.000347 -0.015244 0.003782 0.001992 -0.006294 0.177996 -0.101800 -0.079170 -0.011860 -0.002397 0.019470 -0.039021 0.045205 -0.110585 -0.171262 -0.048038 -0.153499 0.005618 -0.014358 0.000026 -0.142085 -0.091069 0.114788 -0.001031 0.003712 0.005915 0.004195 -0.019937 -0.007120 -0.003906 0.028178 -0.032733 -0.105706 -0.212703 -0.097907 -0.564344 -0.168066 0.399401 -0.009485 0.002431 -0.029681 0.021147 0.014476 0.213612 -0.012847 -0.005551 -0.008458 -0.035029 0.020288 -0.133206 0.024683 -0.002610 -0.005689 -0.032845 -0.005018 0.007291 0.008310 -0.157557 -0.480295 0.000307 -0.006508 -0.010009 0.010251 0.009904 -0.000319 0.535297 -0.289867 0.890570 0.029188 -0.000715 -0.007930 0.122696 -0.104623 -0.430006 -0.001359 -0.010938 0.010725 0.027119 0.047612 0.110827 -0.004879 -0.002567 -0.010995 0.028892 0.033142 0.023864 -0.019005 0.042152 0.435664 0.005168 0.009842 -0.024379 -0.039052 0.016395 0.034607 -0.399334 0.103994 0.182268 0.003694 0.015566 0.030724 -0.227860 -0.022895 0.556904 -0.000544 0.033739 -0.010514 -0.245363 -0.018353 -0.150602 0.013174 -0.008332 -0.003858 0.156340 -0.071562 -0.172883 0.110260 0.198470 -0.479475 0.008008 0.005417 0.000617 0.016204 -0.003994 -0.000110 0.301833 0.376072 1.354502 -0.000471 0.005406 0.020378 0.269034 0.173033 -0.353638 0.001870 -0.016463 0.013757 0.273199 -0.047221 -0.256299 -0.007198 0.004712 -0.020916 0.006134 -0.006827 0.012151 -0.137980 -0.035876 0.027770 -0.008765 -0.010306 -0.001996 0.008760 -0.047957 -0.015975 -0.112452 0.073277 0.114826 -0.034633 -0.005369 -0.000467 -0.173959 0.061055 0.256756 -0.170354 -0.147309 -0.722641 0.008766 -0.000488 0.004995 0.382038 -0.002666 -0.043730 0.009387 -0.045452 -0.012779 -0.087049 -0.079318 -0.058206 0.052553 0.042774 0.037996 0.019180 -0.008253 -0.071265 -0.220803 -0.038140 0.287315 -0.003076 -0.007450 -0.019590 0.132764 0.023370 -0.243871 -0.057067 -0.044469 0.040561 -0.004179 0.002602 0.025298 0.014298 -0.011692 0.000417 0.183736 0.100695 0.311260 0.132259 0.233213 -0.093246 0.056184 0.148013 -0.121510 0.002812 -0.009782 0.005652 -0.029437 0.010265 0.010108 0.010512 -0.015022 0.022614 0.010074 -0.045726 0.005009 -0.041619 -0.026861 -0.008999 0.023230 -0.002818 0.000994 0.156706 0.009519 -0.640067 0.021008 -0.012858 -0.642361 0.110777 0.060177 0.079358 0.004677 -0.007356 0.010688 -0.009384 -0.002441 -0.026519 0.008491 0.007321 -0.009474 0.177352 -0.103482 -0.078291 0.003621 -0.006821 0.028775 -0.038394 0.044263 -0.107418 -0.171339 -0.046702 -0.155997 -0.001853 -0.041871 -0.003069 -0.143523 -0.086170 0.115251 0.002625 0.022724 0.000361 0.012520 -0.002049 -0.020650 -0.027647 0.019986 -0.046285 -0.108882 -0.223095 -0.100632 -0.560193 -0.170670 0.399792 -0.003622 0.028113 -0.021355 0.024493 0.013499 0.211249 -0.014663 -0.026089 0.028847 -0.036013 0.016845 -0.134545 -0.006875 -0.009067 0.013014 -0.055822 0.046441 0.069776 0.006327 -0.156475 -0.487139 -0.005689 0.003138 -0.000602 -0.151619 0.004845 0.043546 0.532183 -0.284739 0.879053 0.034693 -0.018644 -0.036647 0.123303 -0.102401 -0.434411 -0.016853 -0.016390 -0.008214 0.026767 0.046478 0.110514 0.003530 -0.023915 -0.010246 0.049152 0.064932 0.043582 -0.016695 0.043132 0.431196 -0.007932 0.011632 -0.023592 -0.137341 0.032909 0.048729 -0.400203 0.099272 0.186876 -0.026258 0.019284 0.044231 -0.223816 -0.017901 0.556683 -0.002915 0.023158 -0.027805 -0.246609 -0.014982 -0.150439 0.010541 0.016267 0.021842 0.127324 -0.098991 -0.131549 0.110549 0.198468 -0.479706 0.008457 -0.016391 -0.020615 0.072782 0.018388 0.000022 0.297982 0.369938 1.357578 0.006125 -0.007869 0.008123 0.266841 0.174366 -0.354844 -0.009759 -0.025862 0.002632 0.273671 -0.045917 -0.257003 -0.013462 -0.015400 -0.027717 0.037348 0.063506 0.016473 -0.138265 -0.036434 0.028839 -0.025727 -0.010235 -0.011504 -0.011657 -0.031837 -0.015832 -0.124135 0.064347 0.152076 -0.013225 0.004014 -0.002643 -0.174076 0.061948 0.256901 -0.168419 -0.146494 -0.728755 0.000462 0.000844 0.002770 0.212616 0.007595 -0.007525 0.002954 -0.028202 -0.012731 -0.089965 -0.085194 -0.062288 0.029617 0.008273 0.010105 0.014907 0.000022 -0.031493 -0.221446 -0.039054 0.286836 -0.006895 -0.004708 0.001105 0.131268 0.028855 -0.243912 -0.041293 -0.022514 0.032733 0.001019 0.007657 0.024314 0.007979 -0.019263 0.003028 0.183436 0.099537 0.310033 0.132798 0.228398 -0.093856 0.055559 0.145784 -0.118852 0.002231 -0.008767 0.014502 -0.016570 0.008946 0.005807 0.006722 -0.015796 0.015583 0.009163 -0.027382 -0.000519 -0.040241 -0.004914 -0.016989 0.018974 -0.003712 -0.004836 0.156387 0.009371 -0.636161 0.020711 -0.012710 -0.645085 0.109445 0.060647 0.075544 0.001720 -0.004948 0.007301 -0.014269 -0.001114 -0.020292 0.005604 0.005198 -0.007869 0.177051 -0.102275 -0.078991 -0.006156 -0.004034 0.022839 -0.039019 0.044999 -0.109458 -0.171542 -0.047248 -0.154911 0.003379 -0.025476 -0.001026 -0.142914 -0.088698 0.114937 -0.000353 0.012078 0.002938 0.006620 -0.011985 -0.014090 -0.014481 0.026170 -0.037280 -0.107367 -0.216886 -0.098973 -0.562748 -0.169104 0.400129 -0.008682 0.011550 -0.027094 0.021900 0.014638 0.213542 -0.010811 -0.013968 0.004328 -0.035698 0.019519 -0.133910 0.011744 -0.006112 0.001825 -0.041772 0.013985 0.031649 0.010012 -0.156959 -0.483153 -0.001795 -0.004040 -0.005440 -0.052513 0.004502 0.017523 0.533327 -0.288209 0.888252 0.033629 -0.007340 -0.016229 0.122694 -0.103402 -0.431608 -0.006168 -0.010330 0.002975 0.026284 0.046568 0.110225 -0.001726 -0.010266 -0.012219 0.036987 0.042208 0.033513 -0.021203 0.042616 0.433891 -0.001411 0.010441 -0.026082 -0.080820 0.019650 0.043957 -0.399945 0.102663 0.185239 -0.008846 0.017867 0.031347 -0.226988 -0.021100 0.556376 -0.001896 0.032343 -0.013752 -0.246165 -0.017239 -0.151008 0.011082 0.000632 0.006431 0.160191 -0.096167 -0.152732 0.111865 0.198820 -0.479858 0.004001 -0.001759 -0.005983 0.033502 0.005858 0.002741 0.299987 0.374369 1.354008 0.002565 0.000781 0.012412 0.268419 0.173534 -0.354008 -0.002696 -0.019304 0.008039 0.272820 -0.045685 -0.257303 -0.009885 -0.005552 -0.023727 0.016165 0.028808 0.015927 -0.140157 -0.035788 0.027952 -0.014527 -0.008795 -0.005410 0.001021 -0.043548 -0.013583 0.124357 -0.033501 -0.297218 -0.014874 0.004946 -0.004338 -0.174431 0.061670 0.257530 -0.168856 -0.146004 -0.729716 0.003290 0.000629 0.003748 0.143292 -0.014921 -0.015466 0.005816 -0.029353 -0.008623 -0.088221 -0.082659 -0.060648 0.022563 0.019246 0.017138 0.010618 -0.002380 -0.034508 -0.221583 -0.039081 0.287322 -0.003239 -0.003372 -0.011709 0.131819 0.026162 -0.241555 -0.000654 -0.009362 0.002211 -0.001948 0.003662 0.021280 0.009559 -0.014794 0.002931 0.184005 0.099054 0.310908 0.132206 0.229284 -0.094754 0.055776 0.145699 -0.120504 0.002661 -0.009677 0.006730 -0.017417 0.006627 0.007855 0.011602 -0.013738 0.017102 0.005693 -0.033972 0.003805 -0.034965 -0.012387 -0.012063 0.018818 -0.003917 -0.000366 0.156303 0.009188 -0.637607 0.020782 -0.012842 -0.643568 0.109221 0.060682 0.077065 0.001246 -0.006079 0.008905 -0.008759 -0.001600 -0.021727 0.004337 0.007486 -0.010299 0.177364 -0.102536 -0.077933 -0.000194 -0.006317 0.021410 -0.039006 0.044608 -0.108040 -0.171553 -0.047272 -0.155173 0.000157 -0.013373 -0.000831 -0.142287 -0.088207 0.115906 -0.000071 0.013886 0.003538 0.011342 -0.008619 -0.014524 -0.004690 0.032976 -0.030279 -0.108230 -0.219019 -0.099459 -0.562593 -0.170362 0.399412 -0.003279 0.012619 -0.021628 0.022586 0.015404 0.212064 -0.008609 -0.017023 0.015589 -0.036247 0.018737 -0.134155 0.001795 -0.006915 0.005350 -0.032729 0.024330 0.036195 0.009306 -0.156870 -0.483805 0.000018 -0.000091 -0.003339 -0.046792 -0.011510 0.015364 0.533021 -0.287412 0.883745 0.026026 -0.009109 -0.023888 0.123204 -0.103409 -0.432779 -0.009029 -0.013884 -0.005725 0.026879 0.047577 0.110161 0.001884 -0.012894 -0.007153 0.030482 0.040141 0.033344 -0.020240 0.042589 0.433762 -0.006564 0.009741 -0.021068 -0.029340 0.014044 0.039723 -0.400279 0.101154 0.184221 -0.014271 0.018228 0.033783 -0.226007 -0.021265 0.555287 0.001876 0.024824 -0.016239 -0.246558 -0.016882 -0.151076 0.008765 0.007212 0.010597 -0.129929 0.022256 0.332574 0.109184 0.198485 -0.479921 0.009953 -0.007000 -0.010628 0.039251 0.007971 0.003370 0.300186 0.372995 1.355429 0.003645 -0.003237 0.009707 0.268061 0.173678 -0.354260 -0.006679 -0.021362 0.000648 0.273398 -0.047181 -0.257254 -0.008360 -0.007258 -0.021804 0.009273 0.030863 0.013603 -0.137224 -0.036112 0.027961 -0.013499 -0.009082 -0.007485 -0.002417 -0.034812 -0.014158 0.062323 -0.010014 -0.185379 -0.014351 0.005339 -0.004424 -0.173080 0.061456 0.257276 -0.168651 -0.146262 -0.729383 0.003163 0.001095 0.003343 0.163900 -0.009456 -0.018522 0.005309 -0.029136 -0.012200 -0.088470 -0.083679 -0.061107 0.024745 0.015709 0.014947 0.012902 -0.001699 -0.034119 -0.220280 -0.039078 0.287118 -0.003771 -0.003685 -0.008107 0.132025 0.026838 -0.241549 -0.011330 -0.013213 0.010823 -0.001205 0.003912 0.021960 0.009280 -0.015938 0.003121 0.182768 0.099747 0.310700 0.132557 0.229997 -0.092820 0.056738 0.145525 -0.118820 0.002482 -0.008755 0.008536 -0.016964 0.008380 0.007255 0.010818 -0.014176 0.016557 0.005906 -0.032053 0.004320 -0.035858 -0.009446 -0.012819 0.018951 -0.004536 -0.002358 0.156559 0.009070 -0.637039 0.020791 -0.012993 -0.643764 0.109812 0.060599 0.077221 0.001715 -0.006091 0.008443 -0.011363 -0.001454 -0.019738 0.005166 0.007176 -0.009238 0.176806 -0.102806 -0.078135 -0.001191 -0.005625 0.021961 -0.038499 0.044579 -0.108363 -0.171158 -0.047427 -0.154938 0.003555 -0.016645 0.000361 -0.142410 -0.088607 0.116279 0.000279 0.012873 0.003555 0.011533 -0.009664 -0.014079 -0.007326 0.032792 -0.031889 -0.107821 -0.218710 -0.098707 -0.560922 -0.170363 0.399839 -0.003222 0.014926 -0.022375 0.022519 0.014952 0.212324 -0.010674 -0.017224 0.015808 -0.036253 0.018114 -0.134178 -0.000336 -0.008520 0.006549 -0.030585 0.024110 0.037621 0.012155 -0.156929 -0.484025 -0.006330 -0.000402 -0.004944 -0.053520 -0.004906 0.017515 0.532251 -0.287611 0.881305 0.025867 -0.010592 -0.025575 0.123819 -0.104070 -0.432314 -0.009154 -0.014610 -0.004706 0.027331 0.044903 0.109345 0.001711 -0.015592 -0.007039 0.027635 0.046691 0.032576 -0.022441 0.042502 0.433267 0.000136 0.007909 -0.021449 -0.046423 0.013528 0.038700 -0.399927 0.101303 0.185096 -0.015128 0.015169 0.036155 -0.226235 -0.021127 0.555775 0.000470 0.024496 -0.018021 -0.246628 -0.016483 -0.151236 0.009158 0.008952 0.010224 -0.064029 -0.002027 0.214473 0.116219 0.198297 -0.479804 0.010502 -0.007166 -0.010721 0.041626 0.007300 0.002608 0.300293 0.372847 1.355765 0.003389 -0.003466 0.011342 0.268684 0.174215 -0.354119 -0.005154 -0.020564 0.000576 0.273911 -0.044607 -0.258025 -0.007802 -0.003391 -0.022030 0.014994 0.025225 0.009771 -0.143780 -0.036215 0.028026 -0.014730 -0.009593 -0.006368 -0.005751 -0.033920 -0.014011 0.033880 -0.003823 -0.146441 -0.007440 0.008257 -0.003857 -0.173027 0.061954 0.258040 -0.168740 -0.144692 -0.732353 0.003594 0.000646 0.003672 -0.006883 -0.014262 0.014065 0.006743 -0.023489 -0.006270 -0.087218 -0.081817 -0.060781 0.009692 0.014745 0.012665 0.002207 -0.000472 -0.018715 -0.220174 -0.039279 0.287580 -0.000262 -0.001215 -0.019274 0.132529 0.024817 -0.238510 -0.003987 -0.006660 0.006602 -0.002248 0.000425 0.015807 0.008527 -0.010227 0.003568 0.182567 0.099452 0.311590 0.131403 0.229464 -0.093460 0.055758 0.144826 -0.119637 0.003078 -0.008649 -0.000158 -0.012812 0.003653 0.008189 0.014346 -0.010354 0.015634 0.003099 -0.031613 0.009156 -0.027310 -0.011879 -0.009244 0.016889 -0.004292 0.002637 0.155905 0.009144 -0.637308 0.020093 -0.012764 -0.643220 0.108393 0.061410 0.078855 0.001325 -0.006741 0.009659 -0.004087 -0.001100 -0.019596 0.002211 0.010234 -0.011736 0.176354 -0.102479 -0.076655 0.003441 -0.008879 0.014774 -0.038688 0.044780 -0.107142 -0.171365 -0.047353 -0.155122 0.001092 0.005543 0.000398 -0.141092 -0.088858 0.117626 0.000649 0.010286 0.004597 0.016302 -0.006575 -0.013114 0.006524 0.045740 -0.018409 -0.108922 -0.218928 -0.097733 -0.562959 -0.171101 0.399108 0.004451 0.010938 -0.017557 0.022469 0.014946 0.211661 -0.004839 -0.016735 0.020430 -0.036856 0.018743 -0.134507 -0.003741 -0.010317 0.004874 -0.012510 0.027235 0.028336 0.014267 -0.156967 -0.485442 -0.000685 -0.000324 -0.001032 -0.006973 -0.012919 0.000417 0.532900 -0.288051 0.881937 0.015762 -0.007007 -0.026860 0.124002 -0.104385 -0.433110 -0.009415 -0.015774 -0.012011 0.027356 0.044999 0.108256 0.002672 -0.009018 -0.001478 0.015544 0.029832 0.027406 -0.025183 0.042481 0.434503 -0.006483 0.006537 -0.015376 0.036493 -0.005058 0.025938 -0.400532 0.101128 0.183958 -0.012262 0.012236 0.028770 -0.226876 -0.020602 0.553658 0.003346 0.015736 -0.012110 -0.247217 -0.016807 -0.151983 0.004218 0.013003 0.012652 -0.012553 -0.002981 0.165681 0.114299 0.198653 -0.480341 0.012007 -0.005922 -0.008539 0.032495 0.002435 0.003335 0.301378 0.373960 1.354590 0.005832 -0.004249 0.006429 0.269196 0.174421 -0.353883 -0.008020 -0.021123 -0.003841 0.274030 -0.044466 -0.259034 -0.005028 -0.005455 -0.014651 -0.003570 0.014983 0.007466 -0.142161 -0.035903 0.027425 -0.006560 -0.007202 -0.005080 -0.000637 -0.028879 -0.016376 0.005657 -0.000233 -0.112253 0.002383 0.011317 -0.006380 -0.172339 0.062267 0.258631 -0.169096 -0.142752 -0.736443 0.004663 0.000103 0.003088 -0.228421 -0.017473 0.049164 0.009546 -0.013749 -0.002228 -0.085367 -0.079535 -0.060139 -0.011882 0.011760 0.009738 -0.008244 -0.006188 -0.001533 -0.219350 -0.039153 0.287809 0.003623 0.001479 -0.033286 0.133312 0.022399 -0.234606 0.010473 0.004282 0.000943 -0.003837 -0.002878 0.007490 0.008485 -0.002646 0.003566 0.181925 0.099756 0.312223 0.130341 0.230040 -0.094098 0.055464 0.143928 -0.120659 0.003480 -0.007868 -0.011730 -0.006913 -0.001136 0.008742 0.019125 -0.005589 0.013881 -0.001097 -0.032844 0.016493 -0.017604 -0.014885 -0.004020 0.014003 -0.004360 0.008230 0.155434 0.009176 -0.637501 0.019630 -0.012466 -0.642254 0.107412 0.062465 0.081155 -0.000336 -0.007830 0.010824 0.003815 -0.000289 -0.017983 -0.001448 0.014532 -0.014614 0.175846 -0.102215 -0.075103 0.010932 -0.009665 0.005647 -0.038683 0.045019 -0.105978 -0.171363 -0.047228 -0.155584 0.001367 0.033883 0.002566 -0.139338 -0.089195 0.119210 0.001084 0.007997 0.005461 0.022348 -0.005617 -0.011835 0.025492 0.060894 -0.002274 -0.110076 -0.219350 -0.096940 -0.563631 -0.172269 0.399314 0.014708 0.006925 -0.007492 0.022190 0.016407 0.211612 0.000203 -0.015838 0.029588 -0.037488 0.018810 -0.134682 -0.013238 -0.010851 0.006535 0.021378 0.033272 0.014495 0.016871 -0.157045 -0.486202 0.000662 -0.000532 0.001943 0.049453 -0.025315 -0.021831 0.532837 -0.288465 0.877856 0.001956 -0.006037 -0.029735 0.125034 -0.105225 -0.433430 -0.009332 -0.018501 -0.021875 0.027588 0.043875 0.107572 0.004828 -0.002508 0.008700 -0.002076 0.012706 0.020720 -0.027774 0.042473 0.435398 -0.010147 0.001563 -0.007383 0.141921 -0.026574 0.009290 -0.400968 0.100896 0.183756 -0.012785 0.007764 0.021311 -0.227598 -0.021217 0.551560 0.008692 0.003704 -0.004758 -0.247840 -0.016479 -0.152479 -0.003317 0.020975 0.017012 0.032538 0.006281 0.120750 0.115995 0.199123 -0.480677 0.014616 -0.005189 -0.006587 0.024104 -0.003565 0.003552 0.302805 0.374970 1.352748 0.008096 -0.004234 0.003902 0.270324 0.175365 -0.353251 -0.011972 -0.021830 -0.009036 0.274433 -0.042904 -0.260153 -0.000017 -0.004467 -0.004168 -0.023364 -0.007128 -0.001446 -0.143629 -0.035480 0.027480 0.003484 -0.004636 -0.002416 0.000014 -0.024978 -0.014920 -0.144578 0.065244 0.121425 0.008854 0.009425 -0.004732 -0.172824 0.062232 0.258951 -0.171381 -0.141374 -0.742423 0.002948 -0.001437 0.001238 -0.173790 -0.004079 0.053473 0.005276 -0.005692 -0.001268 -0.085180 -0.080129 -0.060855 -0.015872 0.000105 0.003143 -0.015182 -0.000649 0.013234 -0.219763 -0.038961 0.287740 0.005016 0.001217 -0.034347 0.133591 0.022692 -0.231886 0.004351 -0.003590 0.008712 -0.001841 -0.005121 -0.000702 0.005795 0.002655 0.004018 0.182223 0.100397 0.311779 0.130421 0.230229 -0.095966 0.054979 0.142698 -0.120885 0.002723 -0.005432 -0.013561 -0.000559 -0.002407 0.008709 0.011316 -0.001756 0.005473 -0.004686 -0.024665 0.015424 -0.015909 -0.014492 -0.002119 0.008885 -0.003636 0.010674 0.155150 0.008921 -0.637467 0.019294 -0.012284 -0.642639 0.107973 0.063698 0.081136 -0.001180 -0.008366 0.010995 0.008872 0.001025 -0.013826 -0.003170 0.009919 -0.010275 0.175857 -0.102361 -0.074446 0.009401 -0.009865 -0.002764 -0.038722 0.045232 -0.106759 -0.171622 -0.047396 -0.156169 0.000120 0.043578 0.004470 -0.137940 -0.090775 0.118592 0.001199 0.002937 0.005051 0.019433 0.001993 -0.005429 0.015463 0.048016 0.002598 -0.110821 -0.218446 -0.095525 -0.564042 -0.171855 0.399178 0.019960 0.000424 -0.004603 0.022050 0.017858 0.211828 0.002946 -0.014325 0.020460 -0.037844 0.018619 -0.134732 -0.013638 -0.010829 0.006281 0.018455 0.027887 0.003441 0.013345 -0.157254 -0.486605 -0.002363 -0.001305 0.004646 0.025910 -0.024805 -0.018419 0.532606 -0.289680 0.873700 0.001919 -0.003105 -0.029205 0.125419 -0.105481 -0.434366 -0.006168 -0.020848 -0.022600 0.027276 0.041400 0.107929 0.004611 0.000527 0.012846 0.002896 0.002456 0.015496 -0.024314 0.042305 0.436336 -0.009606 -0.000406 -0.002181 0.131237 -0.018159 0.020203 -0.400674 0.100985 0.181609 -0.007301 0.007111 0.019205 -0.229284 -0.022848 0.550104 0.008331 -0.002413 -0.001919 -0.248167 -0.016239 -0.152641 -0.005131 0.020059 0.014535 0.198956 -0.069651 -0.127591 0.115349 0.199351 -0.480651 0.016804 -0.001858 -0.005687 0.012011 -0.004749 0.003533 0.302524 0.376632 1.352178 0.007885 -0.003126 0.001471 0.271384 0.174974 -0.353199 -0.010506 -0.021459 -0.006203 0.274202 -0.040182 -0.259997 0.003166 -0.000160 0.000536 -0.026912 -0.008410 0.000765 -0.143332 -0.035262 0.027381 0.005958 -0.002180 -0.000835 -0.000038 -0.023300 -0.015017 -0.304818 0.135697 0.354500 0.015665 0.010439 -0.001172 -0.171767 0.062666 0.259413 -0.172189 -0.140099 -0.747813 0.002445 -0.002998 -0.000286 -0.113638 0.011649 0.051905 0.004448 0.000314 0.001021 -0.084621 -0.080853 -0.060798 -0.018432 -0.012064 -0.002147 -0.019228 0.006050 0.026160 -0.218700 -0.039577 0.287988 0.007566 0.001908 -0.034832 0.134269 0.022961 -0.227780 -0.005962 -0.012486 0.017478 0.000079 -0.007700 -0.008240 0.002862 0.008335 0.004926 0.181838 0.099522 0.311717 0.130841 0.228631 -0.096068 0.054930 0.141294 -0.120155 0.001430 -0.003563 -0.014425 0.006018 -0.004781 0.008648 0.006216 0.002294 -0.002534 -0.008586 -0.013878 0.016460 -0.014773 -0.012880 -0.001591 0.004487 -0.003006 0.013637 0.155018 0.008669 -0.637827 0.018974 -0.012323 -0.642219 0.108086 0.064734 0.082187 -0.001265 -0.009209 0.011930 0.014943 0.001846 -0.009242 -0.004331 0.006636 -0.004955 0.175556 -0.102083 -0.073396 0.009470 -0.008831 -0.010582 -0.038300 0.045288 -0.106823 -0.171383 -0.047687 -0.156140 -0.000214 0.055233 0.006401 -0.136518 -0.092411 0.118659 0.002176 -0.004647 0.006015 0.018696 0.010597 0.000171 0.005981 0.038333 0.008565 -0.111141 -0.217398 -0.093411 -0.564316 -0.171766 0.399248 0.025615 -0.006134 0.000840 0.022218 0.019123 0.212739 0.006306 -0.012431 0.010285 -0.038516 0.019671 -0.134461 -0.015844 -0.009627 0.006329 0.020112 0.020637 -0.007725 0.019421 -0.157681 -0.487381 -0.002151 -0.002113 0.007661 -0.002048 -0.017153 -0.014899 0.532271 -0.291102 0.872093 -0.008449 -0.000152 -0.031556 0.126572 -0.105652 -0.434749 -0.001664 -0.019000 -0.023443 0.028056 0.043209 0.107002 0.003217 0.006119 0.018567 0.000298 -0.001535 0.006866 -0.030063 0.041957 0.438496 -0.010332 -0.005489 0.007677 0.106955 -0.015624 0.020418 -0.400139 0.101103 0.180329 -0.000106 -0.001204 0.011562 -0.231167 -0.024541 0.549478 0.007015 -0.010879 0.002838 -0.248997 -0.017418 -0.153171 -0.006911 0.019312 0.011546 0.368571 -0.153687 -0.386780 0.116414 0.199613 -0.481132 0.015225 0.002278 -0.000042 -0.001446 -0.007018 0.002454 0.303159 0.378624 1.352175 0.011073 -0.005152 -0.002132 0.273600 0.174244 -0.352851 -0.008961 -0.018326 -0.006915 0.275190 -0.042194 -0.261178 0.005369 0.003804 0.010038 -0.026770 -0.015125 -0.003764 -0.143855 -0.035167 0.027087 0.010070 -0.000065 0.003772 -0.001116 -0.018081 -0.012666 -0.298287 0.135281 0.337959 0.017670 0.008756 0.000822 -0.171673 0.062716 0.259384 -0.172605 -0.139696 -0.749737 0.001707 -0.003530 -0.001449 -0.091681 0.010733 0.049200 0.003222 0.002065 0.001639 -0.084851 -0.081036 -0.061039 -0.018917 -0.014172 -0.004138 -0.019951 0.007862 0.028981 -0.218496 -0.039393 0.287957 0.007524 0.002437 -0.034688 0.133715 0.023294 -0.227392 -0.004512 -0.012395 0.015733 0.000471 -0.007971 -0.009739 0.002295 0.009621 0.005012 0.181554 0.099130 0.311214 0.131193 0.228260 -0.096315 0.054602 0.141151 -0.120218 0.001100 -0.003025 -0.014238 0.007094 -0.004934 0.007872 0.003973 0.003852 -0.005488 -0.011530 -0.010104 0.016867 -0.014191 -0.012848 -0.001056 0.002597 -0.002329 0.014160 0.154714 0.008704 -0.638053 0.018712 -0.012119 -0.642133 0.108067 0.065129 0.081554 -0.001406 -0.008933 0.010875 0.016446 0.001964 -0.008185 -0.005085 0.006046 -0.003934 0.175217 -0.101888 -0.073373 0.009193 -0.008537 -0.012674 -0.038662 0.045418 -0.106940 -0.171553 -0.047573 -0.156215 -0.000798 0.056454 0.006458 -0.136521 -0.092593 0.118495 0.001996 -0.005813 0.005861 0.017428 0.013300 0.000402 0.003867 0.035895 0.010177 -0.111309 -0.217045 -0.093249 -0.561760 -0.171390 0.398518 0.027514 -0.006822 0.001540 0.022235 0.021699 0.212203 0.006558 -0.012259 0.008327 -0.038262 0.020048 -0.134651 -0.016868 -0.010842 0.005259 0.019354 0.018764 -0.009651 0.020296 -0.157613 -0.485578 -0.003249 -0.001449 0.006122 -0.008358 -0.020454 -0.011441 0.529151 -0.291085 0.871167 -0.010814 0.000387 -0.032910 0.126219 -0.106017 -0.435130 -0.001217 -0.019476 -0.023578 0.027069 0.043537 0.107274 0.002759 0.007117 0.018604 0.001332 -0.004730 0.007068 -0.031162 0.042059 0.437801 -0.010789 -0.005598 0.010804 0.103157 -0.013318 0.024669 -0.400033 0.101139 0.180375 0.000968 -0.003702 0.009345 -0.231599 -0.026967 0.548797 0.007012 -0.010790 0.002519 -0.248892 -0.017523 -0.153160 -0.007823 0.020572 0.009996 0.368126 -0.161648 -0.361224 0.115894 0.199984 -0.480907 0.016449 0.002578 -0.000894 -0.003962 -0.007170 0.003486 0.302593 0.379026 1.352717 0.010810 -0.004645 -0.002507 0.273583 0.174648 -0.352941 -0.008489 -0.016919 -0.007265 0.274594 -0.042255 -0.261252 0.006117 0.005089 0.011283 -0.027441 -0.013601 -0.003568 -0.143663 -0.035023 0.027381 0.011081 0.000895 0.004088 -0.000818 -0.018383 -0.013054 -0.272914 0.129761 0.288586 0.021910 0.008529 0.001751 -0.170958 0.062621 0.259870 -0.173933 -0.139044 -0.753338 0.000389 -0.005854 -0.001798 -0.026957 0.018700 0.038558 0.001467 0.005987 0.001983 -0.084450 -0.082026 -0.061119 -0.018416 -0.021133 -0.008161 -0.021576 0.012541 0.037041 -0.217803 -0.039817 0.288245 0.007896 0.002440 -0.033463 0.134414 0.023460 -0.224657 0.002707 -0.013143 0.010522 0.001985 -0.009791 -0.014636 0.000719 0.012750 0.006099 0.181287 0.099297 0.311275 0.131670 0.228048 -0.095848 0.054771 0.139956 -0.119091 0.000759 -0.001115 -0.013995 0.011858 -0.005931 0.007455 -0.000550 0.006460 -0.011287 -0.014547 -0.003960 0.017556 -0.014680 -0.011093 0.000220 -0.000481 -0.001826 0.015855 0.154861 0.008288 -0.637766 0.018645 -0.012386 -0.641898 0.108956 0.065714 0.082255 -0.001514 -0.009879 0.011648 0.019612 0.002567 -0.004290 -0.005566 0.002347 0.000648 0.175144 -0.102220 -0.072638 0.008851 -0.008049 -0.020030 -0.038184 0.045261 -0.107270 -0.171272 -0.048004 -0.156302 -0.001552 0.057282 0.008902 -0.135132 -0.094144 0.118554 0.002043 -0.010201 0.006873 0.015515 0.018041 0.006455 -0.003339 0.024020 0.014576 -0.111411 -0.216578 -0.091252 -0.562171 -0.171057 0.399097 0.031231 -0.010668 0.003558 0.022565 0.021911 0.213067 0.009156 -0.010839 0.001756 -0.038363 0.019809 -0.134386 -0.017298 -0.011242 0.005402 0.018078 0.012878 -0.017714 0.021298 -0.158128 -0.486411 -0.007211 -0.002424 0.008557 -0.031834 -0.019643 -0.010532 0.529811 -0.292514 0.868032 -0.013545 0.001672 -0.032640 0.127065 -0.106556 -0.435153 0.001715 -0.017870 -0.022170 0.027635 0.041562 0.106950 0.002916 0.007938 0.021336 0.002138 -0.007068 0.001294 -0.031570 0.041613 0.439164 -0.005742 -0.008767 0.016085 0.074691 -0.002897 0.026557 -0.399376 0.100815 0.179659 0.006518 -0.007198 0.004988 -0.233094 -0.027893 0.548808 0.006695 -0.017850 0.004015 -0.249107 -0.017890 -0.153109 -0.009028 0.019573 0.006804 0.318066 -0.151180 -0.317098 0.118729 0.199858 -0.480750 0.015148 0.004302 0.002846 -0.013529 -0.008091 0.002507 0.302809 0.380065 1.352813 0.010714 -0.003522 -0.004578 0.275447 0.174087 -0.352360 -0.006256 -0.015362 -0.005151 0.275232 -0.040757 -0.261642 0.008848 0.009473 0.016609 -0.023099 -0.018980 -0.006827 -0.145901 -0.035181 0.027349 0.012368 0.002261 0.006590 -0.001974 -0.012116 -0.009409 -0.203244 0.112382 0.170245 0.033157 0.007436 0.004738 -0.170893 0.062830 0.260721 -0.175840 -0.137706 -0.762468 -0.000227 -0.010128 -0.004376 0.107459 0.025035 0.018890 -0.000910 0.014378 0.005238 -0.083833 -0.083742 -0.061460 -0.018004 -0.034484 -0.016924 -0.025644 0.022588 0.052761 -0.217625 -0.040301 0.288753 0.010798 0.002185 -0.030868 0.135195 0.024389 -0.220000 0.015760 -0.012520 -0.000663 0.005187 -0.012647 -0.024397 -0.002734 0.019927 0.006480 0.182200 0.098664 0.311053 0.132638 0.226225 -0.097541 0.054380 0.138031 -0.118764 0.001163 0.001855 -0.012842 0.020833 -0.008631 0.006387 -0.009177 0.011575 -0.023787 -0.019659 0.005481 0.018215 -0.014837 -0.005152 0.000636 -0.007366 -0.000551 0.019691 0.154839 0.007841 -0.637706 0.018483 -0.012475 -0.641949 0.109835 0.067091 0.082719 -0.000819 -0.010953 0.011692 0.026416 0.003139 0.002922 -0.007124 -0.004481 0.008571 0.175526 -0.102280 -0.071150 0.007234 -0.006479 -0.031475 -0.037740 0.045272 -0.107752 -0.171047 -0.048422 -0.156165 -0.004292 0.059264 0.013564 -0.133377 -0.096606 0.117766 0.002187 -0.019132 0.007331 0.012933 0.027882 0.019025 -0.017413 0.003776 0.019820 -0.111906 -0.215188 -0.089168 -0.561287 -0.170179 0.398886 0.036577 -0.019863 0.008735 0.022586 0.024558 0.214062 0.012054 -0.005503 -0.014409 -0.038201 0.020558 -0.133867 -0.019454 -0.011531 0.005662 0.011416 -0.001252 -0.033238 0.020755 -0.158922 -0.486649 -0.009813 -0.004530 0.010954 -0.074157 -0.019019 -0.006550 0.528070 -0.294971 0.864900 -0.024784 0.005207 -0.032166 0.128710 -0.107109 -0.436360 0.007028 -0.012510 -0.020592 0.027666 0.041488 0.107109 -0.000161 0.017438 0.027368 0.002180 -0.009368 -0.010812 -0.030364 0.041020 0.441116 -0.002070 -0.014803 0.028882 0.024074 0.016791 0.037588 -0.397779 0.100785 0.177558 0.015427 -0.016114 -0.004521 -0.236307 -0.031426 0.547693 0.005681 -0.031136 0.009930 -0.249201 -0.018962 -0.152879 -0.013062 0.018007 -0.001332 0.214135 -0.141462 -0.192196 0.115556 0.200310 -0.480764 0.007638 0.008061 0.010890 -0.031953 -0.010046 0.001809 0.302936 0.382892 1.351462 0.009678 -0.001477 -0.006244 0.278930 0.173408 -0.352490 -0.002038 -0.008488 -0.002383 0.275650 -0.041016 -0.262049 0.012484 0.013302 0.028310 -0.015332 -0.029780 -0.012886 -0.142128 -0.035052 0.027309 0.017276 0.005594 0.009893 -0.000929 -0.000267 -0.005494 0.018407 0.043425 -0.125527 0.054256 0.002621 0.010533 -0.170943 0.063104 0.261854 -0.181360 -0.134542 -0.779999 -0.004775 -0.016471 -0.010502 0.384242 0.035851 -0.018156 -0.010463 0.025833 0.008123 -0.083369 -0.087130 -0.062233 -0.019059 -0.062192 -0.035345 -0.034097 0.043490 0.090196 -0.217474 -0.040828 0.289136 0.014556 0.003663 -0.026469 0.136188 0.026483 -0.210984 0.035843 -0.008678 -0.019637 0.010959 -0.019602 -0.042960 -0.008817 0.033667 0.009588 0.182681 0.098669 0.310163 0.134068 0.224160 -0.100407 0.053596 0.134323 -0.117801 -0.000727 0.008122 -0.011775 0.038842 -0.012924 0.002940 -0.026619 0.022573 -0.051080 -0.034246 0.033025 0.017817 -0.012631 0.004059 0.003605 -0.022099 0.001982 0.026938 0.154373 0.006975 -0.637737 0.017724 -0.012396 -0.642166 0.111775 0.070150 0.083488 -0.001387 -0.013298 0.008621 0.040202 0.005398 0.017492 -0.011184 -0.018017 0.024360 0.175397 -0.102459 -0.068595 0.005084 -0.002861 -0.055996 -0.037400 0.045469 -0.109264 -0.171192 -0.049146 -0.156316 -0.010253 0.068704 0.016683 -0.129988 -0.101566 0.116437 0.002562 -0.034777 0.010239 0.002544 0.047440 0.038816 -0.049081 -0.050978 0.038265 -0.113334 -0.212268 -0.084440 -0.560891 -0.168268 0.398257 0.050640 -0.033003 0.020186 0.022844 0.028820 0.215453 0.019279 0.002431 -0.043821 -0.038688 0.021215 -0.133603 -0.021851 -0.012024 0.004144 -0.000751 -0.025790 -0.064438 0.018261 -0.160300 -0.488208 -0.017146 -0.005300 0.017877 -0.154461 -0.025208 0.000926 0.525700 -0.299078 0.855745 -0.041206 0.009910 -0.029075 0.130639 -0.108430 -0.438553 0.016187 -0.009625 -0.019137 0.027367 0.037398 0.107225 -0.004200 0.027825 0.034780 0.006699 -0.016471 -0.031163 -0.027577 0.040137 0.444532 0.006677 -0.026884 0.051257 -0.071578 0.054996 0.074118 -0.396032 0.100761 0.172741 0.031664 -0.032799 -0.022499 -0.242123 -0.037018 0.545067 0.004378 -0.048294 0.016711 -0.250265 -0.020036 -0.153156 -0.020501 0.014943 -0.016193 -0.060580 -0.088339 0.128030 0.114804 0.201195 -0.481220 0.001095 0.016173 0.021464 -0.066398 -0.013284 0.001751 0.302622 0.387816 1.349627 0.007328 0.000562 -0.013372 0.284072 0.172123 -0.352511 0.006941 0.000746 0.000227 0.276052 -0.037149 -0.262833 0.019665 0.020393 0.047374 -0.000660 -0.043863 -0.026744 -0.141274 -0.034758 0.027154 0.024107 0.012814 0.016958 -0.003642 0.026609 0.007020 -0.079825 0.075359 -0.005731 0.046106 0.005359 0.007908 -0.170372 0.063055 0.261148 -0.179367 -0.135730 -0.773617 -0.002563 -0.013161 -0.008306 0.280715 0.032210 -0.006621 -0.004704 0.020595 0.006596 -0.083707 -0.085726 -0.061951 -0.017815 -0.050779 -0.027585 -0.031049 0.035807 0.076119 -0.216987 -0.040457 0.288840 0.013369 0.003814 -0.027248 0.135712 0.025776 -0.214046 0.028026 -0.008992 -0.014224 0.008172 -0.017360 -0.035748 -0.006319 0.028075 0.008658 0.181700 0.098888 0.310452 0.133400 0.225398 -0.098373 0.054066 0.135899 -0.117487 0.000241 0.006206 -0.012081 0.031892 -0.010571 0.003839 -0.018993 0.018709 -0.041043 -0.028523 0.021358 0.020119 -0.013307 0.000704 0.002871 -0.016526 0.001239 0.024331 0.154404 0.007484 -0.638295 0.017817 -0.012360 -0.642197 0.110850 0.068962 0.083648 -0.001017 -0.012247 0.009157 0.034762 0.004429 0.012282 -0.009633 -0.011797 0.017818 0.174936 -0.102352 -0.069865 0.005498 -0.004033 -0.046717 -0.037619 0.045474 -0.108743 -0.171219 -0.048697 -0.156367 -0.005254 0.064157 0.015694 -0.131561 -0.099414 0.117149 0.002175 -0.028584 0.009276 0.006622 0.039736 0.029860 -0.036540 -0.025992 0.031267 -0.112845 -0.213434 -0.086254 -0.561232 -0.168959 0.398137 0.045883 -0.029637 0.016484 0.023040 0.026886 0.214669 0.014663 -0.001047 -0.030101 -0.038953 0.021084 -0.134256 -0.021716 -0.012532 0.003841 0.001803 -0.016829 -0.053737 0.021682 -0.159434 -0.488422 -0.016599 -0.004523 0.014007 -0.120176 -0.026419 -0.001989 0.526965 -0.296950 0.858372 -0.034098 0.006373 -0.030591 0.129383 -0.107823 -0.437468 0.012186 -0.011835 -0.020370 0.027541 0.038887 0.106318 -0.002605 0.021357 0.032646 0.006044 -0.013005 -0.022056 -0.031282 0.040751 0.442878 0.004957 -0.022409 0.042897 -0.037296 0.034557 0.059366 -0.397230 0.100927 0.174970 0.025854 -0.026442 -0.015720 -0.239469 -0.034407 0.546205 0.004667 -0.038507 0.012810 -0.250270 -0.019529 -0.153984 -0.018196 0.016401 -0.011414 0.057633 -0.119120 0.001043 0.117580 0.200808 -0.481553 0.003954 0.013011 0.018189 -0.052199 -0.011717 0.002936 0.302665 0.385654 1.351929 0.006805 0.000154 -0.009333 0.281351 0.172554 -0.352088 0.002203 -0.002058 -0.001152 0.275990 -0.038316 -0.263164 0.017491 0.019021 0.040030 -0.005267 -0.034968 -0.020067 -0.144304 -0.034856 0.026741 0.019900 0.010959 0.015075 -0.004068 0.014927 0.003390 -0.061136 0.070201 -0.031814 0.048670 0.003367 0.009797 -0.170481 0.063425 0.260770 -0.180056 -0.135221 -0.774832 -0.003878 -0.013960 -0.009114 0.303348 0.029911 -0.006052 -0.007588 0.023842 0.007465 -0.083813 -0.085695 -0.062355 -0.018520 -0.053167 -0.029721 -0.032385 0.037515 0.079378 -0.217112 -0.040480 0.288373 0.013877 0.004006 -0.027514 0.135999 0.025883 -0.214064 0.029704 -0.008165 -0.016470 0.008660 -0.017610 -0.038488 -0.006601 0.029148 0.008346 0.181469 0.099242 0.310161 0.132875 0.225168 -0.098967 0.053513 0.135776 -0.117834 -0.000145 0.006827 -0.013245 0.033346 -0.011243 0.002946 -0.021738 0.020305 -0.043789 -0.030267 0.025822 0.018663 -0.013075 0.000519 0.002754 -0.018160 0.001949 0.024743 0.154099 0.007593 -0.638698 0.017410 -0.012188 -0.642815 0.110629 0.069381 0.083832 -0.001710 -0.012296 0.008599 0.036492 0.004944 0.012959 -0.010273 -0.013586 0.019107 0.174683 -0.102210 -0.070059 0.004862 -0.003579 -0.049016 -0.037588 0.045688 -0.109375 -0.171418 -0.048608 -0.157009 -0.008439 0.064628 0.015182 -0.131292 -0.099674 0.116639 0.002244 -0.030224 0.008985 0.004646 0.042391 0.031138 -0.038453 -0.033235 0.034087 -0.113336 -0.212986 -0.086045 -0.562853 -0.168752 0.398375 0.047098 -0.029353 0.017425 0.023028 0.025830 0.214974 0.014798 0.000692 -0.030979 -0.039409 0.021415 -0.134623 -0.021994 -0.012681 0.003400 0.000553 -0.016385 -0.055617 0.022126 -0.159369 -0.489863 -0.015194 -0.003265 0.017579 -0.126807 -0.029574 -0.002391 0.527970 -0.296944 0.859283 -0.034269 0.007933 -0.031407 0.129185 -0.107529 -0.437510 0.012603 -0.012706 -0.020006 0.027528 0.038981 0.105878 -0.002577 0.023398 0.033365 0.009073 -0.014380 -0.022355 -0.032335 0.040881 0.443437 0.003297 -0.022799 0.044025 -0.039394 0.038515 0.063446 -0.397630 0.101169 0.174742 0.026777 -0.028409 -0.018113 -0.239794 -0.033052 0.546180 0.004968 -0.038977 0.013691 -0.250826 -0.019518 -0.154364 -0.018356 0.016777 -0.010772 0.042552 -0.121204 0.033144 0.117055 0.201049 -0.482067 0.003764 0.013320 0.019168 -0.053513 -0.012386 0.002555 0.302723 0.386115 1.351657 0.007493 0.001255 -0.010061 0.281231 0.172434 -0.351751 0.002891 -0.002704 -0.000227 0.276046 -0.038092 -0.263634 0.017572 0.018537 0.041351 -0.009189 -0.032515 -0.019753 -0.144263 -0.034696 0.026399 0.021016 0.011326 0.015448 -0.002008 0.012261 0.003318 -0.021562 0.056759 -0.079610 0.050517 0.004013 0.010010 -0.169932 0.063590 0.261370 -0.180409 -0.134717 -0.776336 -0.004268 -0.014826 -0.009364 0.348490 0.028894 -0.012943 -0.008085 0.024354 0.007413 -0.083629 -0.086172 -0.061978 -0.019367 -0.057820 -0.032562 -0.033482 0.040388 0.083853 -0.216510 -0.040877 0.288833 0.014562 0.004019 -0.027507 0.136451 0.026269 -0.211686 0.032413 -0.008713 -0.018017 0.009327 -0.018109 -0.040657 -0.007872 0.031260 0.008983 0.181292 0.098562 0.310571 0.133042 0.223789 -0.098379 0.053557 0.135081 -0.116943 -0.000695 0.007341 -0.012740 0.036018 -0.012684 0.003154 -0.023815 0.021421 -0.047077 -0.032174 0.030855 0.019474 -0.013658 0.002862 0.003010 -0.020098 0.001919 0.025570 0.154005 0.007388 -0.638370 0.017079 -0.012239 -0.642085 0.110730 0.069794 0.084407 -0.001230 -0.012843 0.009095 0.039292 0.005241 0.014411 -0.010653 -0.016034 0.022421 0.174577 -0.102235 -0.069082 0.004710 -0.003036 -0.051936 -0.037253 0.045634 -0.109025 -0.171233 -0.048821 -0.156581 -0.009156 0.066105 0.015851 -0.130442 -0.100597 0.117070 0.002819 -0.031671 0.009229 0.003559 0.045797 0.035042 -0.042838 -0.041053 0.036602 -0.113473 -0.212529 -0.084244 -0.562775 -0.168707 0.398074 0.049055 -0.033413 0.018339 0.023225 0.025841 0.215235 0.016708 0.000951 -0.036723 -0.039526 0.022077 -0.134189 -0.021038 -0.011377 0.004203 -0.000540 -0.018736 -0.059329 0.026514 -0.159535 -0.490109 -0.012235 -0.004087 0.019611 -0.137898 -0.029037 -0.002004 0.527450 -0.297480 0.859986 -0.035998 0.009200 -0.032187 0.129729 -0.107666 -0.437720 0.013869 -0.012628 -0.020837 0.027712 0.040382 0.105712 -0.003109 0.026192 0.033440 0.008879 -0.015797 -0.026129 -0.036601 0.040622 0.444853 0.000923 -0.024779 0.046358 -0.059159 0.042434 0.071207 -0.397305 0.101080 0.173392 0.028589 -0.026728 -0.019489 -0.240870 -0.033517 0.545660 0.005986 -0.041925 0.014900 -0.250916 -0.020382 -0.154192 -0.018903 0.015341 -0.013464 -0.015954 -0.101880 0.076696 0.117107 0.201056 -0.481870 0.005248 0.014598 0.018799 -0.059865 -0.011438 0.003075 0.302877 0.386930 1.351780 0.008187 0.000937 -0.011848 0.282400 0.172026 -0.351691 0.002877 -0.002417 -0.002339 0.276318 -0.039714 -0.263912 0.017475 0.017899 0.043312 -0.006118 -0.036342 -0.022423 -0.143982 -0.034711 0.026644 0.022868 0.012102 0.015417 -0.001809 0.016267 0.004514 -0.041892 0.062472 -0.051452 0.049678 0.005351 0.008315 -0.170730 0.063279 0.261764 -0.180016 -0.135233 -0.775497 -0.002925 -0.014030 -0.008290 0.320817 0.033054 -0.011880 -0.006491 0.022143 0.006545 -0.083506 -0.086201 -0.061710 -0.017486 -0.054850 -0.029565 -0.032181 0.038560 0.080623 -0.217299 -0.040747 0.289232 0.014304 0.003840 -0.027366 0.136340 0.026322 -0.212044 0.030679 -0.009323 -0.014403 0.008834 -0.017796 -0.038753 -0.007102 0.030059 0.009324 0.182440 0.098624 0.310917 0.133454 0.224439 -0.099153 0.054142 0.135294 -0.117505 -0.000415 0.006600 -0.011872 0.034778 -0.011885 0.004245 -0.021439 0.020244 -0.044530 -0.031408 0.026649 0.019278 -0.013295 0.002109 0.003555 -0.018294 0.000942 0.025307 0.154506 0.007295 -0.637942 0.017826 -0.012305 -0.641664 0.111208 0.069449 0.084001 -0.000845 -0.012768 0.009419 0.037829 0.004966 0.013755 -0.010060 -0.014746 0.021028 0.175423 -0.102357 -0.069027 0.004863 -0.003712 -0.049382 -0.037287 0.045512 -0.108669 -0.171117 -0.048870 -0.156081 -0.007714 0.064955 0.016855 -0.130691 -0.100278 0.117078 0.002469 -0.030959 0.010755 0.005779 0.042987 0.034003 -0.041086 -0.036280 0.035220 -0.112937 -0.212992 -0.085187 -0.562483 -0.168827 0.397791 0.047316 -0.031935 0.018145 0.023360 0.026184 0.214653 0.016526 0.001773 -0.036465 -0.038900 0.021472 -0.133707 -0.021897 -0.010426 0.003445 0.000546 -0.021033 -0.057919 0.021944 -0.159715 -0.489150 -0.014008 -0.004418 0.017110 -0.132269 -0.026425 -0.002955 0.527852 -0.297696 0.858335 -0.037977 0.007749 -0.032045 0.129924 -0.107813 -0.438265 0.014118 -0.011482 -0.020027 0.027781 0.039912 0.106895 -0.003317 0.024447 0.032943 0.005578 -0.014741 -0.025792 -0.031416 0.040492 0.444451 0.003544 -0.024813 0.045857 -0.051098 0.041623 0.064340 -0.396834 0.100967 0.172790 0.027790 -0.027113 -0.015996 -0.240371 -0.033924 0.545466 0.004266 -0.044034 0.014365 -0.250223 -0.019976 -0.153507 -0.018924 0.014155 -0.013951 0.003861 -0.103600 0.044789 0.115338 0.200967 -0.481274 0.005495 0.014854 0.019213 -0.058082 -0.011907 0.002294 0.302929 0.386625 1.350920 0.007887 0.000625 -0.012064 0.282428 0.172183 -0.352803 0.003670 -0.000769 -0.001475 0.276216 -0.039477 -0.262796 0.018763 0.019040 0.043267 -0.003993 -0.040410 -0.024050 -0.141687 -0.034766 0.027069 0.020783 0.012005 0.015557 -0.003589 0.020413 0.005296 -0.050947 0.065470 -0.040526 0.049183 0.004968 0.009127 -0.170188 0.063352 0.261637 -0.179598 -0.135334 -0.774753 -0.002659 -0.013721 -0.008219 0.312103 0.032580 -0.012113 -0.006062 0.021764 0.006541 -0.083442 -0.085955 -0.061735 -0.017513 -0.053711 -0.029255 -0.031794 0.037941 0.079614 -0.216770 -0.040766 0.289191 0.014295 0.003889 -0.027559 0.136457 0.025945 -0.212549 0.029551 -0.009146 -0.013828 0.009038 -0.017864 -0.038098 -0.006454 0.029493 0.009331 0.181938 0.098777 0.311002 0.133313 0.224637 -0.098285 0.053969 0.135466 -0.117124 0.000119 0.006715 -0.012065 0.034156 -0.011694 0.004173 -0.020900 0.019908 -0.043409 -0.030583 0.025690 0.020054 -0.013119 0.002134 0.003216 -0.017184 0.001322 0.025182 0.154499 0.007380 -0.637805 0.017754 -0.012317 -0.641830 0.110986 0.069293 0.084348 -0.000720 -0.012699 0.009765 0.036901 0.004879 0.013364 -0.009820 -0.014006 0.020497 0.175120 -0.102309 -0.069065 0.005048 -0.003809 -0.048476 -0.037187 0.045519 -0.108554 -0.171023 -0.048802 -0.156124 -0.007459 0.064680 0.016324 -0.130779 -0.100047 0.117344 0.002512 -0.030460 0.010565 0.006434 0.042298 0.032875 -0.039669 -0.033617 0.034715 -0.112893 -0.213064 -0.085075 -0.562484 -0.168901 0.398100 0.046964 -0.031456 0.017755 0.023204 0.025663 0.214891 0.016034 0.001061 -0.035153 -0.039030 0.021549 -0.133677 -0.021829 -0.012350 0.003767 0.001057 -0.020314 -0.057602 0.023953 -0.159627 -0.489371 -0.015314 -0.004259 0.017373 -0.130346 -0.025531 -0.002857 0.528092 -0.297571 0.858140 -0.037360 0.007494 -0.031273 0.130110 -0.107828 -0.437961 0.014158 -0.011795 -0.020063 0.027976 0.039763 0.106474 -0.003107 0.024243 0.032760 0.005191 -0.014455 -0.025108 -0.033319 0.040588 0.444461 0.004704 -0.024250 0.044803 -0.049355 0.039634 0.061167 -0.396916 0.101065 0.174624 0.027768 -0.028726 -0.018111 -0.240357 -0.033343 0.545863 0.004511 -0.042764 0.014267 -0.250382 -0.019978 -0.153627 -0.018722 0.016109 -0.013306 0.013557 -0.107050 0.030513 0.117079 0.200976 -0.481414 0.001128 0.014200 0.019850 -0.056353 -0.012196 0.001862 0.303067 0.386520 1.350227 0.007588 0.001158 -0.009835 0.282534 0.172326 -0.352508 0.003378 -0.000194 -0.001300 0.276485 -0.039261 -0.263186 0.018426 0.018430 0.042726 -0.004445 -0.039756 -0.023810 -0.143355 -0.034779 0.027062 0.022189 0.011786 0.016306 -0.003090 0.019044 0.004757 -0.055358 0.067154 -0.035839 0.048899 0.005907 0.009119 -0.170526 0.063423 0.261582 -0.179791 -0.135301 -0.774585 -0.002827 -0.013580 -0.008318 0.308122 0.031140 -0.009176 -0.006077 0.021267 0.005750 -0.083641 -0.085904 -0.061788 -0.017328 -0.053066 -0.028795 -0.031676 0.037711 0.078632 -0.217117 -0.040683 0.289153 0.014180 0.003943 -0.026835 0.136256 0.026062 -0.212749 0.029154 -0.008731 -0.013881 0.008609 -0.017530 -0.038005 -0.006860 0.029364 0.009203 0.181873 0.098976 0.310977 0.133053 0.224761 -0.098574 0.053908 0.135589 -0.117297 -0.000216 0.006552 -0.012303 0.033740 -0.011557 0.004075 -0.020270 0.019487 -0.042695 -0.028021 0.024142 0.019945 -0.014974 0.003287 0.002464 -0.016161 0.001052 0.024537 0.154318 0.007471 -0.637962 0.017572 -0.012236 -0.641937 0.110774 0.069322 0.084250 -0.000790 -0.012917 0.009873 0.036299 0.005023 0.012528 -0.009770 -0.013649 0.019820 0.175012 -0.102242 -0.069172 0.004951 -0.003659 -0.048242 -0.037398 0.045587 -0.108612 -0.171250 -0.048710 -0.156139 -0.007448 0.064660 0.016074 -0.131083 -0.099894 0.117272 0.002265 -0.030058 0.010385 0.006369 0.041989 0.032419 -0.039651 -0.032192 0.034545 -0.113099 -0.212912 -0.085339 -0.562748 -0.168776 0.398088 0.046801 -0.030334 0.017106 0.023245 0.025417 0.214880 0.015277 0.001367 -0.034042 -0.039170 0.021455 -0.133841 -0.021627 -0.011622 0.003283 0.000413 -0.018338 -0.056540 0.022881 -0.159563 -0.489558 -0.013899 -0.003982 0.017791 -0.128224 -0.027392 -0.003502 0.527996 -0.297315 0.859418 -0.036160 0.007573 -0.031878 0.129626 -0.107788 -0.437813 0.013133 -0.012177 -0.020671 0.027723 0.039211 0.106541 -0.003018 0.022691 0.032370 0.006538 -0.015092 -0.023966 -0.032722 0.040671 0.444314 0.002680 -0.023620 0.044113 -0.044013 0.038781 0.062754 -0.397179 0.101052 0.174015 0.027448 -0.028050 -0.017889 -0.240195 -0.032913 0.545936 0.004625 -0.041685 0.013984 -0.250523 -0.019750 -0.153671 -0.018523 0.015544 -0.012772 0.023745 -0.112112 0.029083 0.116779 0.201025 -0.481476 0.004322 0.013953 0.019143 -0.054597 -0.011789 0.002083 0.302835 0.386402 1.351964 0.007648 0.001045 -0.011899 0.281985 0.172488 -0.352386 0.002944 -0.001479 -0.001652 0.276204 -0.038557 -0.263121 0.017837 0.019312 0.041554 -0.006323 -0.037481 -0.022727 -0.143473 -0.034711 0.027020 0.019362 0.011499 0.015626 -0.003676 0.015992 0.003979 -0.016316 0.051180 -0.090549 0.038393 0.001682 0.007590 -0.169615 0.063897 0.260911 -0.180370 -0.135324 -0.774862 -0.004015 -0.014739 -0.009135 0.279579 0.021604 -0.006244 -0.007372 0.021364 0.007421 -0.083785 -0.086279 -0.061527 -0.015283 -0.047126 -0.026661 -0.030443 0.034417 0.075305 -0.216101 -0.040807 0.288675 0.014318 0.002897 -0.024174 0.136671 0.026920 -0.212135 0.028564 -0.007816 -0.017119 0.008207 -0.017332 -0.038780 -0.007530 0.029635 0.007470 0.180468 0.098758 0.310837 0.132725 0.224242 -0.096492 0.054206 0.135786 -0.116331 -0.001220 0.007626 -0.011599 0.033193 -0.011941 0.000601 -0.019426 0.021409 -0.044897 -0.031908 0.028872 0.020947 -0.011631 0.002316 0.003204 -0.019771 0.002709 0.024881 0.153936 0.007677 -0.638846 0.016919 -0.012116 -0.641808 0.110698 0.069420 0.084806 -0.001376 -0.012114 0.008555 0.036340 0.004316 0.013908 -0.010812 -0.015048 0.018800 0.174184 -0.101972 -0.069353 0.004723 -0.002221 -0.047957 -0.037259 0.045687 -0.109044 -0.171259 -0.048491 -0.156387 -0.008594 0.056306 0.014191 -0.131362 -0.099877 0.117282 0.003113 -0.029450 0.008602 0.002895 0.036775 0.032025 -0.032797 -0.031252 0.039422 -0.113611 -0.212810 -0.084915 -0.563851 -0.168380 0.396947 0.044959 -0.028046 0.017498 0.023568 0.024478 0.214247 0.017165 0.000253 -0.033229 -0.039857 0.022515 -0.134692 -0.021303 -0.011204 0.002966 0.001970 -0.016950 -0.055267 0.030316 -0.159164 -0.491244 -0.012362 -0.003418 0.019207 -0.115392 -0.027900 -0.004606 0.528596 -0.296917 0.858576 -0.037743 0.007795 -0.032548 0.129305 -0.107381 -0.438852 0.012774 -0.012292 -0.019673 0.027975 0.041391 0.104935 -0.002881 0.022976 0.031296 0.007089 -0.013763 -0.024052 -0.040601 0.040963 0.444839 0.002995 -0.024097 0.043065 -0.033784 0.032921 0.070904 -0.397564 0.101321 0.172817 0.026606 -0.026916 -0.017201 -0.240331 -0.031751 0.545114 0.005102 -0.039738 0.014380 -0.251243 -0.020414 -0.154702 -0.018331 0.014797 -0.013908 0.000821 -0.097256 0.097563 0.119808 0.201077 -0.482368 0.004564 0.013349 0.017990 -0.055518 -0.009313 0.004121 0.302853 0.386244 1.350291 0.008062 0.000527 -0.013427 0.281850 0.172279 -0.352952 0.003915 -0.000371 -0.005950 0.276553 -0.040429 -0.264570 0.017823 0.016577 0.041198 -0.005522 -0.027647 -0.019675 -0.146869 -0.034652 0.026320 0.020816 0.011211 0.013970 0.000388 0.018546 0.004053 0.123715 -0.012183 -0.260452 0.019124 -0.006477 0.005080 -0.169343 0.063338 0.260923 -0.182002 -0.136480 -0.777137 -0.004669 -0.017451 -0.010029 0.188843 0.005733 -0.001187 -0.008956 0.017043 0.006929 -0.083360 -0.088506 -0.059887 -0.006299 -0.031850 -0.019948 -0.027517 0.025563 0.064108 -0.215623 -0.040928 0.289179 0.014420 -0.000918 -0.011992 0.137516 0.028515 -0.211046 0.021865 -0.007285 -0.017430 0.009471 -0.017008 -0.038252 -0.007894 0.029349 0.004574 0.181248 0.098753 0.310668 0.134048 0.224211 -0.093990 0.055116 0.135538 -0.115008 -0.001850 0.009521 -0.007256 0.033461 -0.013833 -0.007643 -0.012988 0.021949 -0.047329 -0.036078 0.032863 0.023194 -0.006146 0.004862 0.003078 -0.021985 0.006065 0.025788 0.154327 0.007346 -0.639867 0.017315 -0.012568 -0.642446 0.113008 0.069162 0.085675 -0.000411 -0.012907 0.008725 0.032927 0.002279 0.018570 -0.011434 -0.020054 0.014968 0.174751 -0.102384 -0.068879 0.004207 0.000838 -0.045618 -0.037032 0.045099 -0.109657 -0.170826 -0.048728 -0.155991 -0.008221 0.026875 0.013636 -0.131170 -0.100770 0.117768 0.005501 -0.028602 0.008063 -0.001938 0.015155 0.032800 -0.019070 -0.025060 0.049701 -0.113883 -0.213448 -0.084151 -0.561207 -0.166680 0.395888 0.032002 -0.021903 0.018915 0.024240 0.025417 0.214366 0.025237 0.005764 -0.027511 -0.039319 0.022186 -0.134633 -0.018297 -0.011097 0.003554 0.009117 -0.017833 -0.055832 0.026494 -0.159534 -0.491201 -0.012725 -0.002091 0.013487 -0.071228 -0.014540 -0.009338 0.526293 -0.297259 0.856884 -0.042840 0.005061 -0.022255 0.129993 -0.107449 -0.440453 0.013605 -0.004142 -0.010941 0.028342 0.036578 0.105096 -0.003398 0.016984 0.023967 -0.008967 -0.005637 -0.030840 -0.035569 0.040726 0.444468 0.012176 -0.024655 0.044400 -0.005805 0.026780 0.061254 -0.395636 0.100581 0.172443 0.026863 -0.028459 -0.020700 -0.241069 -0.033557 0.545821 0.002693 -0.045417 0.018782 -0.250842 -0.021022 -0.154163 -0.015166 0.009737 -0.018205 -0.144482 0.002598 0.263519 0.119787 0.200486 -0.482160 -0.003377 0.006897 0.016804 -0.044722 -0.000399 0.007312 0.302761 0.384925 1.350505 0.004937 -0.001693 -0.013142 0.283329 0.171138 -0.353294 0.007919 0.004199 -0.009841 0.277050 -0.036537 -0.264350 0.017178 0.011249 0.039353 0.010096 -0.018910 -0.025413 -0.145832 -0.035298 0.026443 0.017316 0.008608 0.012362 0.000885 0.041583 0.010412 0.457392 -0.165406 -0.613117 -0.014233 -0.015714 0.008576 -0.168719 0.063695 0.260412 -0.185572 -0.137726 -0.781120 -0.007542 -0.020604 -0.012534 0.006177 -0.036957 -0.003391 -0.010032 0.009644 0.009009 -0.083266 -0.091870 -0.056713 0.009695 0.002350 -0.006371 -0.019749 0.010100 0.047702 -0.214410 -0.040566 0.289671 0.014564 -0.008399 0.009024 0.138775 0.033200 -0.208520 0.013872 -0.006054 -0.020118 0.009543 -0.015204 -0.039179 -0.009593 0.029340 -0.001668 0.181207 0.098620 0.310145 0.135511 0.223766 -0.088791 0.056792 0.136048 -0.112630 -0.004728 0.013892 0.001000 0.034654 -0.016860 -0.025729 -0.001760 0.026678 -0.054067 -0.046937 0.041769 0.030016 0.005605 0.007305 0.004193 -0.028871 0.013415 0.027556 0.154164 0.007716 -0.642212 0.016965 -0.012389 -0.642709 0.116140 0.069492 0.087421 0.000191 -0.013017 0.006123 0.027115 -0.001037 0.026585 -0.014546 -0.028854 0.007115 0.174782 -0.101874 -0.068408 0.002571 0.007325 -0.043330 -0.036991 0.044949 -0.111186 -0.170660 -0.048141 -0.155569 -0.005076 -0.033168 0.010804 -0.131657 -0.101479 0.118157 0.009217 -0.025003 0.006680 -0.009537 -0.023278 0.031763 0.011934 -0.012802 0.077281 -0.115179 -0.213491 -0.083078 -0.558766 -0.163138 0.393229 0.014071 -0.009906 0.020790 0.025467 0.027224 0.214476 0.030906 0.014339 -0.021564 -0.039318 0.023724 -0.135201 -0.013446 -0.009188 0.004518 0.016544 -0.015092 -0.050716 0.028757 -0.159434 -0.491612 -0.008377 0.000839 0.006066 0.008367 -0.000582 -0.021721 0.523028 -0.296983 0.854302 -0.054877 -0.000110 -0.012289 0.130040 -0.107015 -0.443711 0.019132 0.001029 -0.000671 0.027785 0.034432 0.105424 -0.002890 0.006969 0.010680 -0.027736 0.006062 -0.038604 -0.037239 0.041218 0.444973 0.026065 -0.025931 0.047441 0.048347 0.006162 0.047095 -0.394074 0.100381 0.170752 0.026437 -0.029122 -0.025287 -0.242777 -0.035023 0.546591 -0.002233 -0.050933 0.022972 -0.251262 -0.022162 -0.153724 -0.010089 0.001598 -0.024070 -0.459204 0.192456 0.620775 0.119932 0.200865 -0.482055 -0.012561 -0.002117 0.013719 -0.030622 0.019110 0.013747 0.302023 0.383554 1.351016 0.000211 -0.004933 -0.013345 0.285140 0.170445 -0.354043 0.014536 0.016395 -0.016886 0.277340 -0.034144 -0.264588 0.015370 0.000208 0.035830 0.036932 0.009986 -0.024779 -0.145576 -0.035407 0.027122 0.010045 0.005481 0.009013 0.006766 0.069331 0.015541 0.233997 -0.061958 -0.385550 0.007722 -0.011027 0.007327 -0.170164 0.063418 0.260868 -0.183549 -0.136810 -0.778884 -0.005476 -0.018878 -0.011044 0.127602 -0.006026 -0.001174 -0.008209 0.014801 0.007152 -0.083614 -0.089489 -0.058689 -0.001690 -0.018678 -0.015588 -0.025183 0.020549 0.057794 -0.216104 -0.040484 0.289441 0.014104 -0.003316 -0.005417 0.137240 0.030380 -0.211017 0.019435 -0.007841 -0.019446 0.009646 -0.015985 -0.038480 -0.008714 0.029804 0.001781 0.182234 0.098496 0.310031 0.134895 0.224225 -0.093991 0.055197 0.135882 -0.115495 -0.002966 0.011073 -0.004042 0.033296 -0.014376 -0.014734 -0.008661 0.023598 -0.050178 -0.040004 0.034970 0.024478 -0.002040 0.005705 0.003527 -0.024657 0.009078 0.026668 0.154243 0.007534 -0.640664 0.017489 -0.012275 -0.642633 0.114166 0.069470 0.085558 -0.000810 -0.012951 0.006664 0.030652 0.001306 0.021485 -0.013135 -0.023014 0.011734 0.175179 -0.102004 -0.068810 0.003847 0.003100 -0.045410 -0.037571 0.045162 -0.110217 -0.171154 -0.048362 -0.155877 -0.006846 0.006408 0.013104 -0.131524 -0.100881 0.117499 0.006405 -0.027596 0.007424 -0.004823 0.001296 0.034135 -0.007417 -0.021623 0.058004 -0.114387 -0.213333 -0.084513 -0.559974 -0.165293 0.395295 0.025984 -0.015613 0.019322 0.024245 0.028203 0.214597 0.026610 0.007447 -0.025844 -0.038795 0.022572 -0.134740 -0.017002 -0.011638 0.004154 0.012134 -0.016907 -0.054299 0.022179 -0.159769 -0.489513 -0.011829 -0.000786 0.009166 -0.046105 -0.013715 -0.010895 0.524400 -0.297224 0.856094 -0.046988 0.003293 -0.019528 0.129670 -0.107429 -0.441314 0.014993 -0.003872 -0.009344 0.026916 0.036196 0.106930 -0.002927 0.013878 0.018697 -0.015065 -0.001541 -0.030836 -0.031355 0.040924 0.444262 0.017390 -0.024847 0.046442 0.020562 0.019616 0.056545 -0.395377 0.100471 0.173329 0.026673 -0.029397 -0.022944 -0.241832 -0.035828 0.546445 -0.000749 -0.047387 0.018793 -0.250704 -0.020997 -0.153305 -0.013549 0.007614 -0.019117 -0.249574 0.061489 0.388271 0.115209 0.201230 -0.481643 -0.007111 0.004117 0.015449 -0.040767 0.007487 0.009518 0.302037 0.384647 1.351115 0.003930 -0.003305 -0.014233 0.283772 0.171307 -0.353198 0.011470 0.008797 -0.008758 0.276276 -0.035795 -0.263358 0.016097 0.006832 0.038271 0.022239 -0.005398 -0.023853 -0.141568 -0.035104 0.027486 0.015556 0.007964 0.011571 0.004279 0.048413 0.012151 0.188352 -0.045361 -0.329816 0.001238 -0.012914 0.006072 -0.170624 0.063442 0.260467 -0.184394 -0.137448 -0.778947 -0.006557 -0.017875 -0.010603 0.072287 -0.006481 0.009608 -0.008294 0.012507 0.007118 -0.083706 -0.090227 -0.058032 0.001378 -0.010749 -0.010654 -0.022945 0.015648 0.051443 -0.216479 -0.040275 0.289327 0.013743 -0.005629 -0.000827 0.137501 0.031605 -0.210874 0.009179 -0.011185 -0.011300 0.008994 -0.014772 -0.037674 -0.009058 0.029049 0.000237 0.182689 0.098564 0.309954 0.135049 0.224392 -0.093553 0.055779 0.136256 -0.115605 -0.003735 0.011101 -0.002187 0.032949 -0.014958 -0.017559 -0.007534 0.023822 -0.050137 -0.040095 0.035423 0.024958 0.000468 0.005563 0.003611 -0.025594 0.010073 0.026089 0.154256 0.007703 -0.641630 0.017614 -0.012235 -0.642829 0.114961 0.069351 0.085451 -0.000993 -0.012543 0.007277 0.028437 0.000372 0.022436 -0.013616 -0.024753 0.008899 0.175531 -0.101837 -0.069017 0.002890 0.004125 -0.042658 -0.037725 0.045127 -0.110794 -0.171220 -0.048143 -0.155827 -0.006929 -0.004843 0.011490 -0.131793 -0.100666 0.117383 0.007073 -0.026037 0.006380 -0.007780 -0.004953 0.032613 -0.001672 -0.019001 0.062705 -0.114649 -0.213463 -0.084837 -0.560029 -0.164726 0.394383 0.024134 -0.013467 0.018951 0.024542 0.027793 0.214209 0.028404 0.008781 -0.023369 -0.038812 0.022819 -0.135010 -0.015486 -0.009607 0.004222 0.012262 -0.016244 -0.052952 0.020589 -0.159566 -0.490152 -0.009848 -0.000194 0.008952 -0.027768 -0.010852 -0.014335 0.524439 -0.296868 0.855503 -0.046738 0.002851 -0.017481 0.129461 -0.107175 -0.442557 0.015988 -0.004484 -0.007872 0.026986 0.036562 0.106858 -0.002102 0.011025 0.017431 -0.017279 0.001238 -0.032179 -0.029773 0.041114 0.443844 0.017969 -0.024853 0.045611 0.036842 0.016117 0.052518 -0.395190 0.100473 0.171160 0.026079 -0.027091 -0.020086 -0.241633 -0.035264 0.546068 -0.000967 -0.047015 0.021515 -0.250628 -0.021081 -0.153413 -0.012241 0.005190 -0.019528 -0.185242 0.052235 0.324134 0.113546 0.201156 -0.481796 -0.004582 0.002969 0.014303 -0.037093 0.009581 0.010200 0.301988 0.384151 1.351118 0.003994 -0.004170 -0.015496 0.283538 0.171223 -0.354139 0.011883 0.009168 -0.010785 0.276223 -0.036027 -0.263218 0.016588 0.004988 0.037425 0.023960 0.000779 -0.022473 -0.139826 -0.035114 0.027241 0.012558 0.006737 0.009925 0.008291 0.049074 0.013111 0.061414 0.000810 -0.185230 -0.018637 -0.016223 0.006907 -0.168482 0.063530 0.259823 -0.185099 -0.139067 -0.776844 -0.006226 -0.019850 -0.011252 -0.064433 -0.018748 0.019252 -0.007569 0.003847 0.008307 -0.083126 -0.092200 -0.055647 0.010774 0.010580 0.000441 -0.016137 0.002371 0.033927 -0.214115 -0.040475 0.289625 0.013228 -0.009406 0.012591 0.139084 0.033847 -0.209827 -0.021566 -0.028020 0.015370 0.008207 -0.012504 -0.034790 -0.008492 0.025700 -0.003732 0.181114 0.098437 0.310102 0.135443 0.224108 -0.087152 0.057602 0.136840 -0.112757 -0.004906 0.012549 0.002473 0.029976 -0.015588 -0.025543 -0.000567 0.024111 -0.048398 -0.042743 0.034840 0.030124 0.007334 0.005521 0.003583 -0.026315 0.013175 0.025079 0.154198 0.007807 -0.643138 0.017029 -0.012494 -0.642774 0.116710 0.068767 0.087668 0.001272 -0.012353 0.007148 0.022326 -0.002097 0.024567 -0.013029 -0.029119 0.003009 0.174781 -0.101851 -0.068830 0.002982 0.007462 -0.035165 -0.037041 0.044738 -0.111261 -0.170526 -0.047997 -0.155364 -0.003567 -0.036224 0.009201 -0.132512 -0.100663 0.119207 0.010039 -0.021519 0.003823 -0.008282 -0.028936 0.027962 0.018470 -0.001211 0.077247 -0.115352 -0.214204 -0.083256 -0.557914 -0.162913 0.392775 0.007068 -0.006110 0.020070 0.025785 0.026665 0.214422 0.029571 0.014214 -0.013890 -0.039284 0.023909 -0.135177 -0.010346 -0.008065 0.005625 0.023043 -0.008660 -0.043370 0.030126 -0.159129 -0.491297 -0.005883 0.001689 0.002302 0.030992 0.012484 -0.019195 0.522601 -0.295932 0.856138 -0.049288 -0.001758 -0.009676 0.129605 -0.106418 -0.444330 0.017003 0.003699 0.002508 0.027978 0.034699 0.105625 -0.001808 0.002430 0.004405 -0.029952 0.007972 -0.036892 -0.038361 0.041465 0.444262 0.025715 -0.023908 0.040658 0.061270 -0.001558 0.033324 -0.393926 0.100257 0.171048 0.021854 -0.025727 -0.020084 -0.241449 -0.034468 0.546860 -0.004393 -0.046474 0.024499 -0.251150 -0.022443 -0.153519 -0.006864 -0.000678 -0.021783 -0.010480 0.030900 0.136031 0.120573 0.200479 -0.482079 -0.011974 -0.005350 0.011108 -0.022974 0.015735 0.014518 0.302320 0.382173 1.351676 -0.000534 -0.006002 -0.011549 0.284242 0.169934 -0.354663 0.013491 0.016907 -0.018254 0.277639 -0.034479 -0.264425 0.014323 -0.001702 0.030025 0.034260 0.012216 -0.022210 -0.145941 -0.035706 0.027389 0.006596 0.003244 0.005845 0.003199 0.068122 0.014804 -0.142751 0.076334 0.017388 -0.066639 -0.025267 0.003399 -0.167579 0.063627 0.258228 -0.187889 -0.142358 -0.774230 -0.006530 -0.023352 -0.012237 -0.332768 -0.022635 0.060133 -0.006237 -0.010212 0.013660 -0.083001 -0.095959 -0.051480 0.027314 0.060195 0.024034 0.000599 -0.037991 -0.010467 -0.212586 -0.040173 0.289713 0.011686 -0.017123 0.038851 0.140866 0.038915 -0.209833 -0.076547 -0.064438 0.063672 0.006611 -0.007421 -0.029370 -0.007595 0.020555 -0.011467 0.180510 0.098453 0.309471 0.136215 0.224381 -0.079637 0.060038 0.138386 -0.110562 -0.005957 0.014241 0.011704 0.023248 -0.016271 -0.042451 0.011664 0.023699 -0.045994 -0.046646 0.034356 0.038363 0.019834 0.004541 0.005427 -0.028880 0.020039 0.022875 0.153925 0.008261 -0.646647 0.016622 -0.012606 -0.643655 0.120228 0.067855 0.089856 0.003428 -0.011271 0.004244 0.009932 -0.006536 0.029561 -0.014002 -0.037186 -0.010637 0.174510 -0.101574 -0.069236 0.000710 0.013822 -0.021583 -0.037018 0.044179 -0.113040 -0.170325 -0.047321 -0.154991 0.002235 -0.096547 0.002837 -0.134476 -0.100259 0.120818 0.015535 -0.014031 -0.004463 -0.015398 -0.078803 0.020051 0.060536 0.024205 0.104199 -0.117149 -0.215484 -0.082763 -0.555697 -0.159355 0.388800 -0.021630 0.011655 0.021879 0.027316 0.025995 0.213775 0.039116 0.024166 0.002566 -0.039555 0.025320 -0.136279 -0.003033 -0.006974 0.006946 0.041480 0.002919 -0.023426 0.033438 -0.158802 -0.493075 -0.001985 0.007039 -0.006063 0.154111 0.043862 -0.028084 0.519912 -0.294633 0.856014 -0.055163 -0.008340 0.000883 0.128931 -0.105620 -0.448881 0.014033 0.015111 0.018228 0.027747 0.031023 0.104937 -0.000065 -0.013439 -0.017655 -0.049403 0.025268 -0.042020 -0.041559 0.042110 0.443460 0.039940 -0.023309 0.033348 0.131491 -0.036391 0.007263 -0.392699 0.099947 0.170513 0.013199 -0.021793 -0.019488 -0.241750 -0.033711 0.547998 -0.011982 -0.043833 0.027257 -0.251782 -0.023830 -0.153168 0.001668 -0.009248 -0.025515 0.276743 0.004233 -0.142236 0.122295 0.200235 -0.482210 -0.022586 -0.018294 0.004199 0.004249 0.028925 0.023314 0.302069 0.378970 1.351642 -0.004884 -0.009559 -0.010639 0.284771 0.168918 -0.356559 0.017417 0.029786 -0.025679 0.277990 -0.031040 -0.265039 0.010876 -0.016810 0.018097 0.058676 0.043558 -0.017112 -0.147462 -0.036273 0.027738 -0.003785 -0.003074 -0.002090 0.001277 0.094063 0.022626 -0.047200 0.041195 -0.073619 -0.045762 -0.020133 0.004811 -0.168527 0.063487 0.258837 -0.186575 -0.140713 -0.775724 -0.006384 -0.021550 -0.011935 -0.195473 -0.016148 0.039266 -0.006740 -0.002641 0.007925 -0.083154 -0.093930 -0.053845 0.017574 0.036866 0.010832 -0.007475 -0.018069 0.011195 -0.213781 -0.040294 0.289384 0.012099 -0.013069 0.025371 0.139838 0.036135 -0.210647 -0.047811 -0.044543 0.039192 0.007794 -0.010253 -0.032551 -0.007997 0.022876 -0.007731 0.181270 0.098571 0.309450 0.135759 0.224437 -0.084660 0.058515 0.137559 -0.112559 -0.004318 0.013204 0.006252 0.027313 -0.016460 -0.034140 0.005243 0.023791 -0.047668 -0.044839 0.034624 0.032766 0.013669 0.004851 0.004736 -0.027576 0.016816 0.024012 0.154131 0.007941 -0.644912 0.017010 -0.012523 -0.643573 0.118341 0.068270 0.088515 0.001347 -0.011782 0.004720 0.016472 -0.004344 0.026977 -0.013855 -0.033337 -0.004036 0.174881 -0.101835 -0.069324 0.001743 0.010528 -0.028963 -0.037168 0.044424 -0.112447 -0.170619 -0.047695 -0.155534 0.000015 -0.064569 0.004984 -0.133535 -0.100523 0.119478 0.013061 -0.017388 -0.000852 -0.012313 -0.052462 0.023757 0.037284 0.012388 0.090338 -0.116266 -0.214900 -0.083664 -0.557799 -0.161300 0.391342 -0.005307 0.001711 0.021206 0.026344 0.026234 0.214392 0.033472 0.018738 -0.007440 -0.039041 0.024341 -0.136050 -0.007706 -0.010129 0.006665 0.031113 -0.003118 -0.032664 0.028931 -0.159310 -0.492462 -0.004375 0.004265 -0.000624 0.087514 0.025106 -0.022217 0.522188 -0.295634 0.855659 -0.050933 -0.004533 -0.004877 0.129245 -0.106238 -0.446309 0.015306 0.010065 0.010447 0.027055 0.032276 0.105853 -0.001150 -0.004758 -0.006086 -0.035768 0.013907 -0.038511 -0.037405 0.041643 0.443739 0.033641 -0.022714 0.037207 0.103177 -0.018362 0.024456 -0.393644 0.099974 0.172190 0.016493 -0.023417 -0.021421 -0.241820 -0.033982 0.547784 -0.008208 -0.045347 0.024448 -0.251221 -0.022966 -0.153138 -0.003136 -0.002306 -0.022698 0.140433 0.008179 -0.007962 0.119606 0.200671 -0.482068 -0.018290 -0.010882 0.008230 -0.010979 0.022076 0.018780 0.302038 0.380698 1.351265 -0.001949 -0.007512 -0.011451 0.284605 0.169669 -0.355253 0.016545 0.022850 -0.020462 0.277133 -0.032299 -0.264469 0.012216 -0.009212 0.025551 0.047775 0.029321 -0.019439 -0.145105 -0.035936 0.027782 0.003135 0.000376 0.002608 -0.000118 0.079052 0.021579 -0.045460 0.042977 -0.073327 -0.044026 -0.019883 0.004814 -0.167370 0.063686 0.258318 -0.186488 -0.141343 -0.772663 -0.005481 -0.019327 -0.010277 -0.162636 -0.020027 0.034502 -0.006902 -0.001811 0.008324 -0.083325 -0.094306 -0.053530 0.015114 0.035082 0.012806 -0.004694 -0.023769 0.001689 -0.212676 -0.040231 0.289228 0.011414 -0.012538 0.027968 0.139847 0.036647 -0.210452 -0.044017 -0.043815 0.034999 0.007036 -0.008817 -0.029304 -0.007139 0.019108 -0.007438 0.179383 0.098747 0.309389 0.135299 0.224778 -0.081969 0.058697 0.137922 -0.111296 -0.004601 0.012850 0.007142 0.024237 -0.014798 -0.031658 0.000516 0.021380 -0.045750 -0.044772 0.036407 0.034860 0.013669 0.003558 0.004515 -0.026298 0.016019 0.020873 0.153530 0.008232 -0.645314 0.016165 -0.012526 -0.644053 0.118407 0.068133 0.089003 0.002369 -0.010725 0.005039 0.013479 -0.004527 0.026143 -0.012167 -0.031827 -0.003605 0.173620 -0.101645 -0.069618 0.001329 0.010880 -0.025023 -0.037261 0.044486 -0.112538 -0.170641 -0.047466 -0.155513 -0.002912 -0.058795 0.003224 -0.134208 -0.100042 0.120910 0.011640 -0.015833 -0.003771 -0.013685 -0.046141 0.022525 0.034614 0.010948 0.088626 -0.116875 -0.214783 -0.082416 -0.556474 -0.161235 0.390307 -0.006830 0.001793 0.020612 0.026235 0.026646 0.213875 0.036900 0.014950 -0.005814 -0.040197 0.024848 -0.136503 -0.006748 -0.010142 0.007010 0.028806 -0.001183 -0.028553 0.035085 -0.158686 -0.493067 -0.004338 0.004283 -0.002905 0.084583 0.021727 -0.020441 0.520457 -0.295191 0.856340 -0.047664 -0.004832 -0.004983 0.128941 -0.105836 -0.447429 0.014512 0.007729 0.010624 0.027867 0.031107 0.103645 -0.001034 -0.004765 -0.008023 -0.030732 0.012566 -0.039165 -0.044065 0.041935 0.442962 0.034506 -0.023791 0.033488 0.088512 -0.015768 0.030247 -0.393687 0.100512 0.172572 0.014647 -0.022249 -0.019887 -0.241819 -0.034257 0.547279 -0.008240 -0.042379 0.027261 -0.252239 -0.023156 -0.154351 -0.002452 -0.001512 -0.022967 0.143428 0.003627 0.002495 0.125097 0.200301 -0.482656 -0.019094 -0.010929 0.006915 -0.013206 0.018515 0.019919 0.301906 0.380752 1.350102 -0.001647 -0.007141 -0.010815 0.284183 0.169594 -0.356557 0.014067 0.024399 -0.024273 0.277740 -0.030792 -0.266086 0.011387 -0.008956 0.023260 0.042374 0.029739 -0.018278 -0.151143 -0.035893 0.026706 0.003772 0.000088 0.001422 -0.000128 0.076716 0.020329 -0.024074 0.039091 -0.082351 -0.030192 -0.017946 0.005660 -0.167099 0.063318 0.258080 -0.185291 -0.143706 -0.764729 -0.001204 -0.018388 -0.007639 -0.076119 -0.012243 0.016001 -0.004823 -0.001725 0.010521 -0.082538 -0.095917 -0.051343 0.011015 0.028423 0.018874 0.003310 -0.028065 -0.016885 -0.212258 -0.040288 0.289841 0.009656 -0.012607 0.032033 0.141351 0.038083 -0.210995 -0.029725 -0.041238 0.027709 0.005203 -0.003018 -0.021061 -0.004567 0.008843 -0.004872 0.180176 0.098536 0.310116 0.135131 0.224875 -0.080797 0.060444 0.138547 -0.112234 -0.005971 0.009161 0.009271 0.019454 -0.012233 -0.023924 -0.010421 0.014091 -0.036090 -0.039213 0.029839 0.038976 0.016555 0.002154 0.004786 -0.021804 0.012789 0.015190 0.153805 0.008105 -0.646869 0.016573 -0.012845 -0.643706 0.119876 0.067074 0.090161 0.006101 -0.009393 0.004742 0.009799 -0.004708 0.023988 -0.007765 -0.033079 -0.002120 0.174255 -0.102023 -0.069094 0.001617 0.009912 -0.017820 -0.036789 0.043961 -0.112142 -0.170213 -0.047385 -0.154100 -0.003662 -0.042333 0.001852 -0.134948 -0.099412 0.124007 0.009614 -0.010886 -0.009401 -0.011235 -0.027804 0.018762 0.023691 0.001885 0.079963 -0.117456 -0.215151 -0.080430 -0.554909 -0.160919 0.389269 -0.016892 0.010701 0.019526 0.027690 0.024246 0.214472 0.029725 0.016022 -0.002391 -0.039900 0.025106 -0.136157 -0.000114 -0.005613 0.005857 0.017358 0.003002 -0.006430 0.035678 -0.158531 -0.494576 -0.002534 0.003521 -0.004648 0.059747 0.022703 -0.009303 0.520494 -0.294263 0.860816 -0.029593 -0.005159 -0.003869 0.128194 -0.105150 -0.449564 0.012597 0.011829 0.013524 0.028370 0.031303 0.104460 0.001710 -0.006687 -0.018081 -0.017812 0.010125 -0.035439 -0.044101 0.042223 0.442346 0.033799 -0.019225 0.023535 0.032789 -0.000073 0.022459 -0.393586 0.100351 0.172166 0.008079 -0.021765 -0.012854 -0.239431 -0.032588 0.546743 -0.011513 -0.037432 0.026565 -0.251987 -0.023891 -0.153127 0.001648 -0.007128 -0.019415 0.084742 0.011039 -0.005805 0.124120 0.199666 -0.482308 -0.015149 -0.012801 0.001372 -0.010546 -0.001101 0.017518 0.303835 0.380032 1.353469 -0.002056 -0.006743 -0.009604 0.283275 0.167845 -0.357898 0.015216 0.024340 -0.021326 0.278424 -0.031429 -0.264938 0.010757 -0.007207 0.010723 0.033767 0.016211 -0.013012 -0.149072 -0.036608 0.027747 -0.000975 -0.000563 -0.003054 -0.012101 0.068317 0.019305 0.085503 0.001996 -0.150363 -0.012044 -0.022858 0.009865 -0.166574 0.062895 0.256224 -0.184001 -0.148026 -0.749158 0.006508 -0.010444 -0.000324 0.114044 -0.002956 -0.018086 -0.003842 -0.000048 0.012495 -0.081600 -0.098560 -0.048407 0.000068 0.014144 0.029148 0.017385 -0.039039 -0.065096 -0.211336 -0.039713 0.289646 0.006208 -0.012746 0.041386 0.143427 0.041329 -0.213650 -0.000182 -0.036828 0.014478 0.002105 0.007742 -0.005481 0.000157 -0.013769 -0.003002 0.180298 0.099117 0.309979 0.134166 0.226623 -0.079035 0.063413 0.140235 -0.114755 -0.007685 0.003787 0.011526 0.007059 -0.003477 -0.009120 -0.034282 -0.000258 -0.019308 -0.029419 0.022329 0.045189 0.023246 -0.001935 0.005173 -0.013300 0.007023 0.001305 0.153546 0.008422 -0.650419 0.016483 -0.013001 -0.644810 0.122462 0.065428 0.091341 0.012558 -0.005129 0.002688 -0.001875 -0.005567 0.018825 0.000706 -0.033828 -0.001328 0.174329 -0.102370 -0.069873 0.001591 0.007856 -0.001692 -0.036495 0.043463 -0.112936 -0.169979 -0.046748 -0.152907 -0.006922 -0.007480 -0.004267 -0.137315 -0.097602 0.128797 0.005332 -0.002266 -0.020674 -0.010807 0.009645 0.012047 0.000352 -0.008267 0.063660 -0.119251 -0.215553 -0.077998 -0.552312 -0.160335 0.387919 -0.032033 0.022367 0.018811 0.029256 0.022543 0.216053 0.020026 0.016557 0.001344 -0.039830 0.025835 -0.136898 0.009757 0.001149 0.006660 -0.001980 0.006745 0.032929 0.035787 -0.157985 -0.497014 0.000028 0.001487 -0.012860 0.014157 0.019244 0.013380 0.519715 -0.292688 0.867415 0.002551 -0.004681 -0.000528 0.126638 -0.103807 -0.453307 0.010625 0.018403 0.016803 0.028004 0.029578 0.104874 0.005674 -0.011569 -0.035773 0.004773 0.003914 -0.027224 -0.044371 0.043032 0.439251 0.032330 -0.011404 0.001959 -0.066776 0.031660 0.021519 -0.393951 0.101026 0.172431 -0.005977 -0.017989 0.000556 -0.236173 -0.031214 0.546509 -0.019678 -0.024042 0.027146 -0.252056 -0.024563 -0.152301 0.009958 -0.015070 -0.010565 -0.071471 0.034032 0.054564 0.124337 0.199307 -0.482269 -0.008695 -0.014604 -0.008370 -0.007412 -0.039589 0.012355 0.306194 0.379483 1.358567 -0.004254 -0.004690 -0.004494 0.281435 0.165962 -0.360746 0.018006 0.024275 -0.015409 0.278673 -0.029572 -0.264512 0.006662 -0.006692 -0.009355 0.018173 -0.002305 0.000048 -0.148706 -0.037285 0.028571 -0.007506 -0.002786 -0.010298 -0.033614 0.052707 0.021181 -0.071784 0.072449 -0.009272 -0.002767 -0.015447 0.009835 -0.166686 0.063010 0.255944 -0.181638 -0.149294 -0.743008 0.007400 -0.007270 0.001045 0.075666 0.012267 -0.005398 -0.002323 0.005144 0.011711 -0.081373 -0.098066 -0.048906 -0.003208 -0.000085 0.016618 0.012697 -0.026945 -0.050054 -0.211308 -0.039476 0.289739 0.003115 -0.006245 0.035845 0.143576 0.040716 -0.213307 0.006690 -0.036908 0.014642 -0.000288 0.007760 -0.001496 0.000713 -0.019518 0.001990 0.180476 0.098830 0.310198 0.133832 0.226546 -0.080493 0.062731 0.140692 -0.116334 -0.004756 0.000936 0.006928 0.006865 -0.000399 -0.002905 -0.029066 -0.006280 -0.010146 -0.028657 0.026064 0.043866 0.028171 -0.003707 0.006257 -0.009994 0.000595 -0.003583 0.153205 0.008502 -0.650826 0.016383 -0.012829 -0.644751 0.122186 0.065442 0.091647 0.007410 -0.003935 0.001943 -0.002451 -0.005634 0.012625 0.002107 -0.026264 -0.001902 0.174276 -0.101943 -0.069487 0.003893 0.006273 0.001730 -0.036873 0.043550 -0.112002 -0.170140 -0.046494 -0.152408 -0.014145 0.005832 -0.003789 -0.137147 -0.096795 0.130218 0.003472 -0.000315 -0.020776 -0.010278 0.006048 0.009482 0.001359 -0.005599 0.055835 -0.119906 -0.214819 -0.077165 -0.550230 -0.161831 0.387369 -0.031348 0.017028 0.019150 0.028308 0.023310 0.215716 0.016394 0.008104 0.004901 -0.040029 0.025879 -0.137668 0.013153 0.001490 0.003705 0.002630 0.004133 0.030554 0.036029 -0.157762 -0.496984 0.002304 -0.000872 -0.014004 0.020323 0.014506 0.013601 0.517641 -0.292093 0.870724 0.003701 -0.003932 -0.002208 0.127133 -0.103324 -0.455557 0.007854 0.015945 0.011751 0.027557 0.029036 0.104069 0.003996 -0.006802 -0.029637 0.006729 0.000672 -0.022364 -0.045142 0.043306 0.436931 0.024985 -0.010394 -0.002982 -0.042425 0.025986 0.017594 -0.394424 0.101693 0.172963 -0.006565 -0.020299 0.003362 -0.234928 -0.031978 0.544219 -0.015743 -0.022889 0.024262 -0.252234 -0.024238 -0.153161 0.010190 -0.011716 -0.006474 0.093988 -0.046584 -0.097737 0.123453 0.199444 -0.483011 -0.007300 -0.011078 -0.004463 -0.008658 -0.036120 0.008899 0.305945 0.379417 1.357965 -0.005608 -0.002404 -0.001389 0.280919 0.165832 -0.362849 0.016685 0.020358 -0.012414 0.278375 -0.028430 -0.265327 0.003616 -0.004549 -0.009664 0.006876 -0.005950 0.001224 -0.148110 -0.037196 0.028036 -0.005703 -0.000905 -0.008039 -0.031773 0.038819 0.018847 -0.162781 0.113619 0.067088 0.000947 -0.012633 0.010127 -0.165024 0.063139 0.255325 -0.180001 -0.149952 -0.738722 0.006609 -0.002381 0.002349 0.059911 0.016124 -0.001844 -0.001826 0.010138 0.009945 -0.081275 -0.097653 -0.049083 -0.005619 -0.007721 0.008894 0.010364 -0.015811 -0.041825 -0.209651 -0.039425 0.289458 0.001573 -0.002363 0.031561 0.144027 0.040158 -0.212811 0.010289 -0.037974 0.013890 -0.001876 0.007563 -0.000243 0.000914 -0.022921 0.004386 0.178582 0.098890 0.310069 0.133079 0.226299 -0.079029 0.062449 0.140950 -0.115940 -0.002974 -0.000774 0.003542 0.006194 -0.000230 0.000452 -0.026304 -0.009634 -0.004526 -0.028759 0.030604 0.044172 0.030916 -0.003977 0.005760 -0.007936 -0.003048 -0.007627 0.152567 0.008684 -0.651672 0.015464 -0.012800 -0.645180 0.121398 0.065321 0.092632 0.004146 -0.003241 0.002258 -0.002264 -0.005632 0.008032 0.003072 -0.021389 -0.001400 0.173015 -0.101841 -0.069585 0.004847 0.004666 0.003576 -0.036817 0.043600 -0.111610 -0.170047 -0.046316 -0.152520 -0.018720 0.014048 -0.004571 -0.137190 -0.096207 0.131514 0.002954 0.000997 -0.021320 -0.010433 0.004676 0.006995 0.001786 -0.003471 0.050875 -0.120452 -0.214518 -0.075790 -0.549024 -0.162630 0.387992 -0.032106 0.013937 0.017899 0.027933 0.022874 0.216469 0.017348 0.003142 0.004536 -0.041334 0.026816 -0.137963 0.014877 0.001810 0.003014 0.004064 0.004297 0.028763 0.044798 -0.157328 -0.497670 0.003226 -0.001911 -0.014287 0.027042 0.009705 0.013711 0.516254 -0.291601 0.873961 0.003395 -0.003988 -0.003029 0.127270 -0.102464 -0.456132 0.007955 0.014671 0.010160 0.028263 0.029140 0.102365 0.003673 -0.005242 -0.026276 0.011183 -0.000698 -0.021339 -0.054397 0.043561 0.436670 0.021946 -0.010515 -0.007637 -0.035326 0.020838 0.021418 -0.394912 0.102214 0.174355 -0.008073 -0.021293 0.003879 -0.234633 -0.031566 0.543919 -0.014656 -0.021946 0.024465 -0.253459 -0.024867 -0.153931 0.010285 -0.010082 -0.004863 0.189105 -0.092185 -0.173491 0.128831 0.199341 -0.483579 -0.006782 -0.009769 -0.003537 -0.010222 -0.037016 0.008410 0.305971 0.379466 1.359568 -0.004200 -0.001134 0.000106 0.280848 0.165192 -0.363325 0.014197 0.018757 -0.013865 0.279193 -0.028254 -0.267092 0.003139 -0.002630 -0.010591 0.001946 -0.008995 0.001720 -0.153719 -0.037165 0.027682 -0.005136 -0.000067 -0.006806 -0.029917 0.030020 0.016747 -0.097202 0.081500 0.017629 0.003475 -0.008785 0.011078 -0.165143 0.062872 0.255318 -0.178163 -0.150956 -0.735198 0.006583 -0.000861 0.002431 0.023105 0.019665 -0.000704 -0.000800 0.013174 0.009720 -0.081106 -0.096948 -0.049738 -0.007349 -0.014019 -0.001371 0.003383 -0.006525 -0.021026 -0.209678 -0.039221 0.289717 -0.001031 0.002325 0.026271 0.143842 0.038880 -0.212636 0.024019 -0.030710 0.004688 -0.002297 0.005783 0.002283 0.000936 -0.025358 0.008777 0.178483 0.098517 0.310189 0.133129 0.226271 -0.079958 0.061442 0.141195 -0.116962 0.000348 -0.002883 0.000198 0.006152 0.001207 0.004302 -0.020298 -0.013120 0.002481 -0.029030 0.032649 0.044639 0.034454 -0.004996 0.006777 -0.005540 -0.007331 -0.010492 0.152261 0.008648 -0.651301 0.015371 -0.012842 -0.644478 0.121139 0.065314 0.092649 -0.000595 -0.003209 0.003042 -0.002410 -0.005562 0.003456 0.003870 -0.014576 -0.000878 0.172843 -0.101766 -0.069223 0.006849 0.002355 0.004586 -0.037449 0.043537 -0.110644 -0.170260 -0.046287 -0.152249 -0.023078 0.019367 -0.004923 -0.136869 -0.095846 0.132416 0.002454 0.001595 -0.019203 -0.010247 -0.000188 0.005062 0.005633 -0.001159 0.044889 -0.120899 -0.214401 -0.075210 -0.546608 -0.163686 0.388366 -0.032068 0.011503 0.017212 0.027129 0.024356 0.216492 0.015272 -0.002632 0.005207 -0.041277 0.026701 -0.138029 0.016706 0.001119 0.000637 0.005958 0.003602 0.027242 0.044245 -0.157235 -0.495993 0.001962 -0.003410 -0.016023 0.033057 0.005031 0.013455 0.513992 -0.291239 0.875162 0.002678 -0.003209 -0.002060 0.127356 -0.102401 -0.457130 0.008121 0.012983 0.007758 0.027692 0.028966 0.102522 0.002910 -0.003097 -0.023114 0.012545 -0.001713 -0.017722 -0.054101 0.043712 0.435059 0.020294 -0.009275 -0.010976 -0.011198 0.018822 0.015936 -0.395086 0.102335 0.175467 -0.008074 -0.024646 0.004103 -0.233767 -0.033240 0.542703 -0.012092 -0.020709 0.022015 -0.253327 -0.024752 -0.153829 0.010632 -0.007644 -0.002043 0.117007 -0.063195 -0.125377 0.128448 0.199281 -0.483430 -0.006855 -0.007630 -0.000731 -0.008385 -0.032272 0.006380 0.305438 0.379059 1.359286 -0.005375 -0.000417 0.001346 0.280305 0.164889 -0.363956 0.013744 0.016344 -0.012459 0.278798 -0.028092 -0.266949 0.000837 -0.001897 -0.010578 -0.003357 -0.011160 0.000742 -0.153593 -0.037295 0.027952 -0.002920 0.000992 -0.005983 -0.027369 0.023844 0.014937 0.086732 -0.009248 -0.111986 0.012271 -0.001571 0.007293 -0.163826 0.062591 0.255164 -0.173097 -0.153401 -0.724439 0.007875 0.002247 0.003801 -0.067465 0.019377 0.004268 0.002353 0.021677 0.008620 -0.079853 -0.095669 -0.050766 -0.012235 -0.031215 -0.025267 -0.006530 0.019903 0.018330 -0.208188 -0.039425 0.290118 -0.003558 0.013003 0.012032 0.146117 0.035792 -0.211245 0.057055 -0.011384 -0.020568 -0.006161 0.000979 0.006727 0.001429 -0.031838 0.018295 0.178374 0.098893 0.311672 0.132118 0.226412 -0.081789 0.060770 0.141634 -0.118513 0.009222 -0.008129 -0.009487 0.006386 0.004026 0.012948 -0.006187 -0.020907 0.020605 -0.026948 0.038638 0.043467 0.045360 -0.006455 0.007833 0.000318 -0.018612 -0.018127 0.152219 0.008447 -0.651868 0.015431 -0.013150 -0.644494 0.120190 0.064544 0.094877 -0.011373 -0.002219 0.003785 0.000814 -0.005883 -0.007585 0.006579 -0.000923 -0.000586 0.172761 -0.102002 -0.068065 0.012651 -0.004109 0.007894 -0.036849 0.043153 -0.108486 -0.169741 -0.046343 -0.151310 -0.035904 0.034947 -0.003925 -0.135783 -0.094795 0.134589 0.002143 0.003350 -0.014062 -0.009465 -0.014074 0.000170 0.013046 0.009529 0.028307 -0.121379 -0.214351 -0.073573 -0.548311 -0.168036 0.389774 -0.023648 -0.001040 0.008972 0.025952 0.019612 0.217206 -0.004370 -0.019670 0.009673 -0.041637 0.026491 -0.138545 0.019478 0.002249 -0.003641 0.015922 -0.005850 0.018984 0.048321 -0.157250 -0.499400 0.002874 -0.008259 -0.010302 0.044601 -0.008237 0.006888 0.518628 -0.289993 0.882225 0.004373 0.001457 -0.003381 0.129729 -0.102389 -0.460112 0.003679 0.004280 -0.006517 0.028741 0.026944 0.100730 -0.000218 0.000511 -0.001250 0.008431 -0.000961 -0.002273 -0.058351 0.044132 0.434343 -0.000021 -0.000052 -0.024667 0.030853 0.007603 -0.002768 -0.396060 0.103422 0.175914 -0.007004 -0.020278 0.010166 -0.230354 -0.029924 0.538410 -0.000095 -0.008963 0.002841 -0.253597 -0.024892 -0.154591 0.008511 -0.000747 0.007552 -0.104845 0.039706 0.019075 0.130864 0.198650 -0.484395 0.001963 0.002587 0.010176 0.000859 -0.015292 -0.002861 0.306167 0.377070 1.361478 -0.008860 0.002407 0.007862 0.279785 0.163264 -0.365184 0.005467 0.005778 0.002718 0.280013 -0.026348 -0.268188 -0.005079 0.002873 -0.008610 -0.012247 -0.022966 -0.002387 -0.155212 -0.037994 0.027591 -0.001164 0.004509 -0.000457 -0.011807 -0.007845 0.012294 0.036248 0.015853 -0.078366 0.008418 -0.003254 0.009781 -0.163602 0.062595 0.255054 -0.174305 -0.152770 -0.726987 0.008002 0.000366 0.003298 -0.044263 0.020101 -0.000099 0.001677 0.019327 0.009056 -0.079946 -0.096172 -0.050319 -0.010011 -0.026281 -0.017720 -0.001549 0.012932 0.007258 -0.208016 -0.039661 0.289823 -0.002343 0.010751 0.014869 0.146089 0.036353 -0.211533 0.048198 -0.016775 -0.013491 -0.004892 0.001860 0.005259 0.001587 -0.030359 0.015634 0.178177 0.098937 0.311307 0.132243 0.226345 -0.080793 0.061354 0.141304 -0.117686 0.007245 -0.006756 -0.007080 0.006210 0.003293 0.010708 -0.010662 -0.018487 0.017640 -0.026867 0.037188 0.041790 0.042950 -0.005808 0.007389 -0.001142 -0.015543 -0.015905 0.152459 0.008333 -0.651812 0.015469 -0.013286 -0.644746 0.120567 0.064475 0.094722 -0.008107 -0.002601 0.003195 0.000709 -0.006099 -0.004088 0.006188 -0.005483 -0.000619 0.172812 -0.102181 -0.068598 0.011839 -0.002910 0.006477 -0.036510 0.043074 -0.109404 -0.169587 -0.046526 -0.151827 -0.031904 0.030283 -0.003865 -0.135874 -0.095194 0.133960 0.002441 0.002755 -0.015413 -0.009727 -0.010557 0.001184 0.011438 0.009093 0.033156 -0.121095 -0.214541 -0.073932 -0.548501 -0.167464 0.390291 -0.024043 0.001118 0.009514 0.026468 0.019316 0.217719 -0.003296 -0.014501 0.009344 -0.041716 0.026387 -0.138691 0.018250 0.002649 -0.002259 0.014445 -0.003483 0.021282 0.049092 -0.157480 -0.499832 0.002469 -0.007441 -0.009378 0.038952 -0.003930 0.009264 0.518556 -0.290478 0.880691 0.004738 0.000425 -0.002360 0.129681 -0.102420 -0.459023 0.004135 0.005817 -0.003714 0.028984 0.026649 0.100655 0.000608 -0.000993 -0.002592 0.007557 -0.000143 -0.003690 -0.058748 0.043863 0.434813 0.002645 -0.000893 -0.022440 0.015766 0.006035 -0.001903 -0.395885 0.103062 0.176031 -0.007296 -0.019311 0.009854 -0.230827 -0.029753 0.539588 -0.000639 -0.008097 0.004246 -0.253728 -0.025065 -0.154774 0.008229 -0.002228 0.006950 -0.049370 0.013671 -0.023851 0.132251 0.198606 -0.484569 0.000645 0.002262 0.008272 0.001065 -0.016964 -0.001867 0.306460 0.377170 1.361122 -0.008321 0.002017 0.007588 0.280225 0.163399 -0.364348 0.006038 0.007330 0.000886 0.280303 -0.026354 -0.268404 -0.004162 0.002339 -0.008798 -0.009658 -0.022916 -0.001717 -0.156384 -0.038065 0.027379 -0.001641 0.003457 -0.001005 -0.015267 -0.001568 0.012449 0.024571 0.021682 -0.069876 0.006474 -0.002751 0.009301 -0.164602 0.062514 0.255409 -0.174944 -0.152680 -0.728028 0.007813 0.000232 0.003190 -0.042891 0.021807 0.001664 0.001350 0.018780 0.009155 -0.080247 -0.096211 -0.050312 -0.009678 -0.025056 -0.016171 -0.001957 0.010908 0.003791 -0.208972 -0.039380 0.290129 -0.002797 0.010145 0.016200 0.145404 0.036699 -0.211923 0.046158 -0.017709 -0.011153 -0.004638 0.002348 0.005459 0.001571 -0.029921 0.015345 0.179028 0.098764 0.311204 0.132653 0.226577 -0.081806 0.061031 0.141383 -0.118347 0.006867 -0.006456 -0.005849 0.006206 0.003438 0.010366 -0.011516 -0.018187 0.015441 -0.026980 0.035716 0.042543 0.041896 -0.005787 0.007748 -0.001851 -0.014862 -0.015262 0.152505 0.008364 -0.651572 0.015809 -0.013098 -0.644581 0.120838 0.064687 0.094032 -0.007685 -0.002808 0.003404 -0.000001 -0.006011 -0.002931 0.005677 -0.005994 -0.000930 0.173203 -0.101991 -0.068450 0.011398 -0.002500 0.006516 -0.036992 0.043164 -0.109282 -0.169883 -0.046426 -0.151585 -0.031290 0.029389 -0.003497 -0.136074 -0.095215 0.133719 0.002178 0.002712 -0.015496 -0.009557 -0.009997 0.002859 0.009900 0.007290 0.034654 -0.121032 -0.214474 -0.074375 -0.548709 -0.166822 0.389575 -0.026751 0.001793 0.010676 0.026509 0.021209 0.216847 0.001185 -0.012942 0.008358 -0.041373 0.026260 -0.138258 0.018269 0.001764 -0.002275 0.012590 -0.003812 0.020938 0.044560 -0.157611 -0.498115 0.002228 -0.006842 -0.012461 0.040510 -0.003658 0.010051 0.518257 -0.290716 0.879222 0.003913 -0.000435 -0.002496 0.128997 -0.102310 -0.459450 0.005250 0.006749 -0.002707 0.028385 0.027137 0.102120 0.001384 -0.001958 -0.007389 0.009218 -0.000918 -0.006037 -0.054394 0.043835 0.434954 0.007346 -0.003247 -0.020945 0.018030 0.010144 0.001589 -0.395759 0.102833 0.175985 -0.007504 -0.020883 0.008922 -0.231180 -0.031266 0.539599 -0.002688 -0.011270 0.007920 -0.253469 -0.024769 -0.154030 0.008645 -0.002544 0.004885 -0.031782 0.005690 -0.031833 0.128796 0.198960 -0.483891 -0.000628 0.000368 0.006105 -0.001644 -0.019337 -0.000032 0.306204 0.377626 1.360913 -0.007602 0.001445 0.005541 0.280045 0.163666 -0.364931 0.008425 0.009679 -0.001211 0.279733 -0.026638 -0.267258 -0.002790 0.001832 -0.009345 -0.008972 -0.020041 -0.001062 -0.153184 -0.037851 0.028042 -0.002122 0.002905 -0.002622 -0.016869 0.002891 0.013405 0.029800 0.019152 -0.073357 0.007402 -0.002244 0.008865 -0.164304 0.062486 0.255254 -0.174600 -0.152828 -0.727578 0.007582 0.001526 0.003629 -0.047747 0.021295 0.001970 0.001550 0.019095 0.008909 -0.080071 -0.096232 -0.050276 -0.009850 -0.026079 -0.017883 -0.002523 0.012791 0.006550 -0.208696 -0.039501 0.289990 -0.002673 0.010407 0.015444 0.145692 0.036607 -0.211776 0.047371 -0.017146 -0.012406 -0.004884 0.002183 0.005249 0.001472 -0.030131 0.015413 0.178963 0.098724 0.311188 0.132574 0.226412 -0.081800 0.061260 0.141314 -0.118391 0.006945 -0.006696 -0.006446 0.006192 0.003393 0.010648 -0.009618 -0.018884 0.017651 -0.027216 0.035341 0.040381 0.042666 -0.007070 0.007881 -0.000692 -0.015925 -0.016229 0.152556 0.008313 -0.651748 0.015791 -0.013196 -0.644629 0.120812 0.064604 0.094271 -0.008610 -0.002055 0.002711 -0.000425 -0.005781 -0.005064 0.006147 -0.003788 -0.000832 0.173173 -0.102102 -0.068499 0.011599 -0.002664 0.006862 -0.036792 0.043094 -0.109304 -0.169761 -0.046501 -0.151631 -0.032054 0.030113 -0.004090 -0.136022 -0.095269 0.133779 0.002237 0.002737 -0.015347 -0.010171 -0.009901 0.001136 0.010590 0.006749 0.031962 -0.121007 -0.214547 -0.074290 -0.548602 -0.166913 0.389818 -0.025997 0.001504 0.010082 0.026612 0.020730 0.217201 0.000029 -0.013441 0.008737 -0.041366 0.026273 -0.138452 0.018185 0.003056 -0.002483 0.013159 -0.003864 0.020848 0.045604 -0.157612 -0.498578 0.002540 -0.007024 -0.011528 0.039849 -0.003121 0.009857 0.518343 -0.290685 0.879940 0.004316 -0.000208 -0.002138 0.129162 -0.102388 -0.459130 0.004267 0.006549 -0.002555 0.028563 0.027462 0.101800 0.001093 -0.001377 -0.005142 0.008932 -0.000602 -0.005431 -0.055249 0.043778 0.434867 0.004644 -0.001815 -0.021791 0.018828 0.009461 -0.000210 -0.395688 0.102747 0.175678 -0.007641 -0.020265 0.010171 -0.231173 -0.030945 0.540016 -0.002201 -0.010512 0.006763 -0.253372 -0.024929 -0.154188 0.008560 -0.003105 0.005855 -0.036216 0.007634 -0.025865 0.129190 0.198809 -0.484026 0.000137 0.001218 0.006774 -0.000986 -0.019019 -0.000334 0.306281 0.377505 1.361323 -0.007745 0.001863 0.006721 0.280211 0.163601 -0.364640 0.007548 0.008240 0.000414 0.279856 -0.027114 -0.267491 -0.003326 0.001981 -0.009021 -0.009348 -0.021208 -0.001116 -0.153382 -0.037936 0.027873 -0.002234 0.003000 -0.001645 -0.016044 0.000876 0.012859 0.018691 0.023948 -0.062029 0.004339 -0.002103 0.008722 -0.164235 0.062615 0.255215 -0.173846 -0.153095 -0.728287 0.006740 0.001464 0.002463 -0.033455 0.015791 0.000116 0.001354 0.016889 0.007866 -0.080142 -0.095486 -0.050126 -0.007938 -0.019989 -0.016596 -0.002634 0.011357 0.011589 -0.208562 -0.039383 0.290076 -0.002479 0.010059 0.013187 0.145694 0.036030 -0.211674 0.043541 -0.017890 -0.012704 -0.004893 0.000932 0.005102 0.000687 -0.026890 0.014357 0.178432 0.098746 0.311291 0.132575 0.226471 -0.081489 0.060884 0.141642 -0.118287 0.007132 -0.007080 -0.005690 0.004167 0.003152 0.010271 -0.009315 -0.017921 0.017061 -0.027117 0.034222 0.043791 0.041779 -0.007270 0.007590 -0.000680 -0.014162 -0.014120 0.152259 0.008480 -0.651761 0.015411 -0.013050 -0.644602 0.120180 0.064640 0.094255 -0.009040 -0.002244 0.004410 0.000593 -0.005803 -0.005307 0.006523 -0.004700 0.000470 0.172832 -0.101943 -0.068422 0.010869 -0.002619 0.006207 -0.037011 0.043174 -0.108950 -0.169904 -0.046323 -0.151658 -0.031866 0.024885 -0.004169 -0.136244 -0.095009 0.133679 0.003190 0.002745 -0.014155 -0.010831 -0.009712 0.000400 0.010904 0.007007 0.029805 -0.121190 -0.214814 -0.074570 -0.548610 -0.166959 0.389450 -0.025319 0.002466 0.009950 0.026565 0.020643 0.216379 0.000828 -0.014482 0.008532 -0.041729 0.026474 -0.138675 0.017533 0.002184 -0.003172 0.011148 -0.002860 0.020256 0.047370 -0.157381 -0.498512 0.002475 -0.006548 -0.011813 0.035822 -0.004612 0.011103 0.517981 -0.290511 0.879914 0.002708 0.000921 -0.003972 0.128916 -0.102335 -0.460088 0.004235 0.006577 -0.003183 0.028428 0.027493 0.101453 0.001247 -0.002927 -0.005457 0.010713 0.002284 -0.004883 -0.057480 0.043976 0.434774 0.004195 -0.001925 -0.020631 0.017246 0.012566 0.003229 -0.395963 0.102836 0.175051 -0.007435 -0.019815 0.008753 -0.231173 -0.030752 0.539131 -0.002172 -0.012032 0.007164 -0.253712 -0.024849 -0.154483 0.008812 -0.003013 0.004735 -0.022368 0.002179 -0.031968 0.130280 0.198882 -0.484220 -0.000641 0.000034 0.006070 0.000277 -0.019484 0.001114 0.305867 0.377089 1.360182 -0.007033 0.001079 0.005438 0.279971 0.163799 -0.365036 0.006031 0.008502 -0.000383 0.279760 -0.026917 -0.267857 -0.003539 0.000159 -0.009334 -0.005515 -0.016664 -0.001827 -0.154936 -0.037832 0.027763 -0.002810 0.002397 -0.002316 -0.015371 0.002596 0.014042 -0.015167 0.039103 -0.029803 -0.000988 -0.001882 0.002658 -0.164023 0.062968 0.254799 -0.171579 -0.154218 -0.729552 0.005531 0.002023 0.000340 0.000488 0.001758 -0.007701 0.002185 0.009773 0.004013 -0.079982 -0.093128 -0.049092 -0.002677 -0.003815 -0.014295 -0.004185 0.006752 0.026147 -0.208208 -0.039231 0.289986 -0.001401 0.008529 0.002125 0.147209 0.033838 -0.211488 0.032623 -0.019252 -0.014396 -0.004897 -0.003051 0.003038 -0.001605 -0.017942 0.012325 0.177702 0.099970 0.312248 0.131688 0.227185 -0.081758 0.060288 0.142557 -0.118729 0.007785 -0.008303 -0.005374 -0.000167 0.001718 0.008083 -0.006716 -0.015585 0.019883 -0.025842 0.029747 0.045317 0.042048 -0.010631 0.007202 0.001031 -0.010935 -0.009356 0.151944 0.008938 -0.652273 0.014867 -0.012854 -0.644645 0.118274 0.064356 0.096111 -0.011000 -0.001887 0.007920 0.002363 -0.006650 -0.008884 0.007991 -0.004280 0.004620 0.172316 -0.101981 -0.068110 0.009516 -0.002432 0.006842 -0.036877 0.043264 -0.108064 -0.170148 -0.045881 -0.151951 -0.031474 0.009185 -0.005729 -0.136697 -0.094319 0.133511 0.006028 0.002898 -0.009529 -0.012405 -0.007597 -0.003380 0.009990 0.003732 0.020662 -0.121732 -0.215976 -0.075381 -0.553707 -0.167192 0.390716 -0.021073 0.002188 0.010526 0.026861 0.014833 0.215572 0.000557 -0.015710 0.010640 -0.042603 0.026660 -0.139586 0.016317 0.002693 -0.002294 0.008360 -0.001213 0.017625 0.049227 -0.157115 -0.502496 0.002564 -0.005409 -0.003891 0.018775 -0.007052 0.011869 0.522833 -0.289903 0.882020 -0.002072 0.002387 -0.006078 0.128945 -0.102115 -0.461472 0.003612 0.005888 -0.004253 0.028607 0.027069 0.100540 0.001320 -0.006137 -0.002509 0.012145 0.011281 -0.003418 -0.060564 0.044510 0.436292 0.001960 -0.000185 -0.020859 0.014071 0.021412 0.005563 -0.396954 0.102815 0.173049 -0.007459 -0.016933 0.009608 -0.231134 -0.024898 0.538323 -0.001446 -0.020077 0.005584 -0.254594 -0.024462 -0.155273 0.008405 -0.003853 0.004078 0.010849 -0.006117 -0.053215 0.131549 0.199037 -0.485242 -0.000315 -0.002933 0.007376 0.003943 -0.017803 0.001001 0.305366 0.375444 1.359107 -0.005569 -0.000603 0.004465 0.279792 0.164176 -0.364559 0.000592 0.008045 0.001954 0.280011 -0.026061 -0.268764 -0.003468 -0.004733 -0.009292 0.007530 -0.004656 -0.004362 -0.156981 -0.037774 0.027391 -0.005007 0.000764 -0.001474 -0.015341 0.007268 0.017395 -0.073013 0.065182 0.024172 -0.016930 -0.000778 0.001029 -0.163000 0.062552 0.255131 -0.165692 -0.156717 -0.733624 0.006733 0.000410 -0.002744 0.073894 -0.024323 -0.029970 0.005060 0.000195 -0.003166 -0.079152 -0.089475 -0.047129 0.008532 0.029608 -0.007981 -0.003542 -0.005003 0.057131 -0.206892 -0.039636 0.290977 -0.000084 0.003674 -0.016187 0.148074 0.029059 -0.211094 0.010609 -0.024100 -0.011152 -0.002436 -0.011701 0.004064 -0.004742 -0.002218 0.006905 0.177919 0.098778 0.312706 0.133986 0.227309 -0.082678 0.059541 0.143588 -0.119354 0.012677 -0.012373 0.001381 -0.008293 0.000032 0.003946 -0.000824 -0.010193 0.027038 -0.019412 0.013672 0.039278 0.044699 -0.018062 0.007120 0.005281 -0.004409 0.000223 0.152218 0.008827 -0.652569 0.015229 -0.013255 -0.643968 0.116489 0.063755 0.096171 -0.014237 -0.000468 0.012038 0.007124 -0.007141 -0.014055 0.010979 -0.001711 0.011316 0.172486 -0.101925 -0.067301 0.008479 -0.005526 0.007965 -0.036920 0.042592 -0.105464 -0.169610 -0.045921 -0.152009 -0.031194 -0.024080 -0.007646 -0.136323 -0.093884 0.134035 0.012612 0.002516 0.000925 -0.017637 -0.002101 -0.012234 0.010399 -0.001840 0.003222 -0.121092 -0.218794 -0.076681 -0.549628 -0.168574 0.393655 0.003729 0.006219 0.002169 0.026782 0.015588 0.211776 -0.014046 -0.020626 0.009288 -0.042077 0.025609 -0.140265 0.001291 -0.002268 -0.001247 -0.003046 0.003366 0.009271 0.050758 -0.157026 -0.498352 -0.000423 -0.000581 0.003947 -0.045191 -0.010496 0.022067 0.520858 -0.288678 0.884391 -0.004666 0.007197 -0.009389 0.131990 -0.104150 -0.464574 0.001479 -0.001333 -0.010998 0.028932 0.024955 0.099720 -0.000407 -0.013500 0.016022 0.002223 0.028379 0.012811 -0.061230 0.045090 0.436067 -0.013794 0.009355 -0.008598 -0.017016 0.026294 -0.003959 -0.396368 0.100407 0.173671 -0.002631 -0.004235 0.005082 -0.229382 -0.027486 0.536315 0.009359 -0.008392 -0.020689 -0.254179 -0.024083 -0.155469 0.000448 0.001289 0.001432 0.050904 0.003586 -0.101434 0.131998 0.198263 -0.484684 0.001357 -0.010066 0.007028 0.025399 0.004122 -0.002656 0.302779 0.369250 1.357854 -0.001581 -0.006734 0.004364 0.281367 0.165186 -0.361950 -0.014886 -0.004841 0.008646 0.280750 -0.025053 -0.269007 -0.009527 -0.012149 -0.002213 0.042401 0.020927 -0.007510 -0.156644 -0.038923 0.027728 -0.003220 -0.004382 0.001490 0.003145 0.002377 0.018435 -0.008046 0.031991 -0.020885 -0.015442 -0.001081 0.001383 -0.162802 0.062625 0.255259 -0.164779 -0.156779 -0.735292 0.006387 0.001382 -0.003266 0.059137 -0.022608 -0.026921 0.003511 -0.002944 -0.004197 -0.079050 -0.088584 -0.045815 0.008506 0.027701 -0.004747 -0.003517 -0.006008 0.051135 -0.206598 -0.039389 0.291178 -0.000300 0.001283 -0.018321 0.147895 0.028382 -0.211400 0.011280 -0.018999 -0.017831 -0.001171 -0.012299 0.004188 -0.005098 0.000878 0.005228 0.177265 0.098666 0.312556 0.134242 0.227379 -0.082820 0.059028 0.143738 -0.119366 0.010137 -0.011945 0.003052 -0.010171 -0.000646 0.003925 0.001902 -0.007539 0.027439 -0.018567 0.011667 0.039700 0.042247 -0.019158 0.006097 0.006371 -0.001377 0.002992 0.151794 0.009006 -0.652505 0.014737 -0.013061 -0.643907 0.115707 0.063846 0.096515 -0.013791 -0.000487 0.013278 0.006421 -0.005809 -0.014936 0.010699 0.000276 0.011586 0.171995 -0.101639 -0.067061 0.006685 -0.005357 0.007988 -0.037301 0.042672 -0.104958 -0.169799 -0.045674 -0.152064 -0.027426 -0.022204 -0.008851 -0.136764 -0.093905 0.134348 0.012703 0.002283 0.002113 -0.016945 -0.002228 -0.012854 0.009741 -0.000595 0.000717 -0.121330 -0.218970 -0.076044 -0.548615 -0.168499 0.394000 0.001821 0.009123 0.002690 0.026861 0.016759 0.211928 -0.009981 -0.025204 0.010522 -0.042603 0.026149 -0.140374 0.001272 -0.003908 -0.001971 -0.004122 0.002969 0.010423 0.052711 -0.156871 -0.496777 0.000380 -0.001052 0.001686 -0.033505 -0.013566 0.021785 0.518867 -0.288898 0.885182 -0.009064 0.006227 -0.010784 0.131228 -0.103724 -0.464935 0.000929 0.000259 -0.011781 0.028620 0.024677 0.100031 -0.000141 -0.013318 0.015460 0.003563 0.030900 0.012393 -0.063682 0.045243 0.436355 -0.013636 0.008899 -0.007321 -0.005539 0.027403 -0.002002 -0.396436 0.100555 0.174024 -0.004075 -0.008767 0.004163 -0.229645 -0.028788 0.535903 0.007567 -0.011414 -0.019184 -0.254752 -0.024264 -0.155320 0.000999 0.001714 0.001517 -0.008777 0.033583 -0.047659 0.133044 0.198538 -0.484476 -0.000208 -0.009747 0.005924 0.024989 0.000818 -0.001436 0.302191 0.369721 1.356960 -0.000361 -0.005650 0.003732 0.281153 0.165246 -0.361872 -0.014485 -0.003858 0.008250 0.280697 -0.024446 -0.269108 -0.009149 -0.012568 -0.003472 0.043646 0.018164 -0.008188 -0.158310 -0.038738 0.028214 -0.003013 -0.003819 0.000573 0.000066 0.005658 0.018313 0.176361 -0.063184 -0.146400 -0.011600 -0.000663 0.001665 -0.163500 0.062561 0.255597 -0.161959 -0.157535 -0.740580 0.009279 0.002445 -0.003998 0.018903 -0.027668 -0.020511 0.000263 -0.009172 -0.005332 -0.078064 -0.086375 -0.042089 0.009184 0.021454 0.004802 -0.002027 -0.008043 0.047922 -0.206942 -0.039331 0.291546 0.001049 -0.006129 -0.023222 0.148795 0.026196 -0.212006 0.015112 -0.004442 -0.033885 0.002357 -0.014638 0.005147 -0.005629 0.007712 -0.000614 0.178597 0.098658 0.313270 0.135405 0.228488 -0.086118 0.058852 0.143878 -0.120940 0.004167 -0.010866 0.008345 -0.011197 -0.002179 0.005326 0.007776 -0.001922 0.027716 -0.012414 0.003326 0.034702 0.039026 -0.022771 0.004384 0.008957 0.005788 0.010413 0.152126 0.009066 -0.652977 0.015369 -0.013027 -0.643717 0.114663 0.063530 0.097274 -0.011417 -0.000749 0.014768 0.005165 -0.002608 -0.015579 0.010535 0.001852 0.011945 0.172887 -0.101439 -0.066224 0.001095 -0.005211 0.007418 -0.037716 0.042383 -0.103608 -0.169893 -0.045334 -0.152062 -0.017414 -0.016764 -0.009930 -0.136856 -0.094382 0.134973 0.014074 0.000926 0.005138 -0.013644 -0.003905 -0.014026 0.008818 -0.001328 -0.005665 -0.120906 -0.220220 -0.075130 -0.550952 -0.168357 0.394180 0.015213 0.007223 0.000245 0.028522 0.014072 0.209824 -0.015855 -0.017650 0.009154 -0.041639 0.025587 -0.141591 -0.003089 -0.003735 -0.001989 -0.008014 -0.002720 0.005390 0.047475 -0.157061 -0.496196 -0.000130 -0.004601 0.006083 -0.026257 -0.018440 0.008959 0.521820 -0.290194 0.884813 -0.013208 0.003638 -0.008657 0.131234 -0.105195 -0.466947 -0.002434 -0.003682 -0.011494 0.027848 0.023606 0.100811 -0.000408 -0.007465 0.020903 -0.000781 0.032641 0.018160 -0.058290 0.045616 0.437184 -0.017028 0.010198 0.000663 0.019590 0.018193 -0.008852 -0.396356 0.098979 0.171901 -0.000685 -0.003755 0.005307 -0.229586 -0.027359 0.532779 0.009209 -0.008434 -0.023032 -0.253978 -0.023619 -0.155354 -0.001472 0.003819 -0.001506 -0.221628 0.141396 0.110954 0.128715 0.198626 -0.484541 0.001312 -0.007840 0.002828 0.025116 0.002203 -0.001235 0.301208 0.369515 1.355087 0.005240 -0.002931 0.001711 0.282130 0.166537 -0.361428 -0.018554 -0.006630 0.011874 0.280201 -0.023528 -0.268479 -0.006323 -0.010631 -0.003992 0.047775 0.011372 -0.008385 -0.153718 -0.039060 0.028569 -0.001251 -0.004354 0.000970 0.001396 0.005643 0.017591 0.112126 -0.029847 -0.105921 -0.013644 -0.001038 0.001161 -0.163014 0.062278 0.255200 -0.162644 -0.157433 -0.738777 0.010858 0.000402 -0.003585 0.038380 -0.023607 -0.025258 0.002212 -0.005823 -0.004653 -0.078212 -0.087468 -0.043290 0.009150 0.023104 0.000778 -0.001935 -0.007851 0.050158 -0.206582 -0.039497 0.291169 0.000830 -0.004083 -0.021908 0.148590 0.026908 -0.211920 0.014529 -0.010940 -0.027961 0.000780 -0.013736 0.004532 -0.005235 0.005000 0.000592 0.178658 0.098471 0.312567 0.135333 0.227729 -0.085770 0.059311 0.143632 -0.120850 0.006463 -0.011838 0.006271 -0.010508 -0.002340 0.004072 0.005551 -0.003842 0.027127 -0.012703 0.004743 0.031454 0.040900 -0.021214 0.004415 0.007858 0.002423 0.007339 0.152277 0.008818 -0.653282 0.015456 -0.013298 -0.644105 0.115190 0.063447 0.096759 -0.012174 -0.000839 0.012849 0.006686 -0.004246 -0.015636 0.010328 0.000208 0.011660 0.172932 -0.101701 -0.066696 0.003561 -0.005599 0.007433 -0.037419 0.042250 -0.104332 -0.169649 -0.045648 -0.152246 -0.021847 -0.018580 -0.010081 -0.136543 -0.094420 0.134698 0.013826 0.001170 0.003629 -0.014548 -0.003533 -0.014088 0.009724 -0.000578 -0.002019 -0.120825 -0.219843 -0.075634 -0.548999 -0.168549 0.395247 0.014049 0.008215 0.001260 0.028116 0.015305 0.211361 -0.016531 -0.016195 0.008530 -0.041568 0.025356 -0.141288 -0.005962 -0.003480 -0.001520 -0.006728 -0.000784 0.005545 0.047643 -0.157332 -0.495729 0.001372 -0.002146 0.007403 -0.033617 -0.015894 0.011186 0.520232 -0.290024 0.887151 -0.010466 0.004242 -0.008807 0.131794 -0.105247 -0.465511 -0.001391 -0.003384 -0.011328 0.028113 0.022890 0.100699 -0.000736 -0.007160 0.021709 -0.001732 0.030426 0.017684 -0.057829 0.045299 0.436528 -0.018438 0.010771 0.001629 0.006502 0.017800 -0.009813 -0.396125 0.098960 0.172991 -0.001607 -0.002611 0.007086 -0.229512 -0.028760 0.534393 0.009010 -0.006160 -0.022845 -0.253964 -0.023873 -0.155333 -0.003269 0.003457 0.000453 -0.160920 0.109689 0.060322 0.129349 0.198461 -0.484581 0.002916 -0.007575 0.003256 0.026342 0.005423 -0.001776 0.301611 0.369272 1.357645 0.004125 -0.003722 0.002505 0.282521 0.166061 -0.360732 -0.016062 -0.007353 0.011432 0.280542 -0.023132 -0.268840 -0.006782 -0.011339 -0.002360 0.045533 0.012136 -0.008188 -0.153886 -0.039233 0.028543 -0.001718 -0.004112 0.002060 0.004049 0.002558 0.016187 0.092908 -0.022869 -0.089289 -0.009276 -0.000888 0.001168 -0.162647 0.062610 0.255229 -0.162047 -0.157223 -0.740162 0.008290 0.002806 -0.003550 0.014491 -0.021941 -0.017963 0.000255 -0.008869 -0.005337 -0.077982 -0.086965 -0.042437 0.008248 0.018217 0.004335 -0.001675 -0.007423 0.041794 -0.206188 -0.039518 0.291160 0.001046 -0.005830 -0.021600 0.148813 0.026658 -0.211951 0.012156 -0.008325 -0.028623 0.002080 -0.014025 0.004565 -0.005260 0.006185 -0.000797 0.177993 0.098386 0.312616 0.135413 0.227773 -0.085313 0.059206 0.143614 -0.120579 0.003835 -0.010591 0.007368 -0.010885 -0.002302 0.004898 0.007330 -0.001300 0.026691 -0.012366 0.005354 0.033038 0.038480 -0.022071 0.003766 0.008557 0.004890 0.009333 0.152088 0.009007 -0.653196 0.015155 -0.013134 -0.643894 0.114746 0.063531 0.097152 -0.010749 -0.000838 0.014015 0.005336 -0.002426 -0.015025 0.010060 0.002119 0.010974 0.172517 -0.101413 -0.066688 0.001585 -0.005105 0.007114 -0.037449 0.042382 -0.104185 -0.169640 -0.045467 -0.152397 -0.016236 -0.013392 -0.009853 -0.136846 -0.094547 0.135039 0.013851 0.000748 0.003880 -0.013099 -0.003733 -0.013878 0.009120 -0.000090 -0.005137 -0.120808 -0.219848 -0.074827 -0.550154 -0.168402 0.394942 0.014337 0.008356 0.000837 0.028370 0.014416 0.210958 -0.015428 -0.018799 0.009327 -0.042140 0.025841 -0.141746 -0.004332 -0.003786 -0.001425 -0.006455 -0.001287 0.007191 0.051116 -0.157068 -0.496570 0.001601 -0.003079 0.006824 -0.023400 -0.015892 0.010557 0.521065 -0.290042 0.886346 -0.012430 0.003879 -0.008855 0.131439 -0.104697 -0.466149 -0.002337 -0.003436 -0.010712 0.028607 0.023949 0.099928 -0.000074 -0.005722 0.020926 -0.000372 0.031295 0.017516 -0.061553 0.045516 0.437182 -0.017877 0.010025 0.001658 0.017460 0.014379 -0.009363 -0.396345 0.099108 0.173011 -0.000524 -0.004433 0.006156 -0.229719 -0.027945 0.533905 0.008273 -0.007216 -0.022142 -0.254518 -0.023997 -0.155730 -0.002630 0.003819 0.000285 -0.136042 0.098598 0.045580 0.130742 0.198497 -0.484903 0.000537 -0.007169 0.003437 0.024403 0.000670 -0.001864 0.301702 0.369739 1.355732 0.005290 -0.002755 0.003149 0.282483 0.165868 -0.360858 -0.016989 -0.006981 0.011686 0.280990 -0.023890 -0.269329 -0.005769 -0.010768 -0.002958 0.045060 0.008373 -0.008668 -0.155519 -0.039092 0.028248 0.000174 -0.004237 0.002022 0.000550 0.004222 0.016415 0.037062 -0.002407 -0.046469 0.006261 -0.000042 0.002981 -0.163367 0.062897 0.255995 -0.160482 -0.157102 -0.744140 0.009552 0.003705 -0.003096 -0.034797 0.000142 0.004389 -0.003978 -0.013333 -0.005202 -0.077252 -0.085589 -0.038461 0.005456 0.003193 0.012764 -0.001216 -0.005673 0.029086 -0.206541 -0.039499 0.291767 0.001562 -0.012190 -0.020197 0.149193 0.025522 -0.212151 0.009298 -0.002378 -0.030706 0.006191 -0.014663 0.005368 -0.005369 0.010395 -0.006462 0.178142 0.098372 0.313672 0.135587 0.228397 -0.086810 0.058591 0.143337 -0.121006 -0.003822 -0.008283 0.011329 -0.010468 -0.003382 0.007268 0.010272 0.003330 0.025094 -0.008895 0.002328 0.027427 0.033755 -0.024514 0.001611 0.010403 0.010871 0.014567 0.151721 0.009137 -0.653113 0.014979 -0.012898 -0.643599 0.113350 0.063348 0.098646 -0.007731 -0.002002 0.015411 0.002153 0.001277 -0.013786 0.009133 0.003551 0.009688 0.172430 -0.100948 -0.065243 -0.003470 -0.004141 0.007818 -0.038114 0.042259 -0.102673 -0.170120 -0.045027 -0.151802 -0.006005 0.004466 -0.009697 -0.137583 -0.095330 0.136488 0.015445 -0.000620 0.003079 -0.006931 -0.004177 -0.013715 0.007427 0.001769 -0.007053 -0.121061 -0.220085 -0.072327 -0.552437 -0.168048 0.394174 0.019202 0.006313 -0.000361 0.030101 0.012084 0.209492 -0.016102 -0.013248 0.008568 -0.041984 0.026155 -0.142620 -0.006672 -0.006892 -0.002340 -0.005698 -0.007788 0.007127 0.049613 -0.157132 -0.495797 0.002461 -0.007522 0.008848 0.002740 -0.015432 0.000309 0.522325 -0.291727 0.885756 -0.018137 -0.001036 -0.009816 0.129967 -0.105553 -0.467854 -0.003668 -0.004331 -0.009668 0.027489 0.023566 0.100602 -0.000236 0.000844 0.020095 -0.002034 0.028873 0.019776 -0.061001 0.045851 0.438483 -0.017911 0.009040 0.006428 0.037351 -0.000973 -0.015683 -0.396682 0.098320 0.171545 0.000521 -0.005052 0.010502 -0.230338 -0.026771 0.530820 0.007907 -0.008840 -0.022486 -0.254489 -0.023923 -0.155700 -0.002566 0.004874 -0.002378 -0.069677 0.074701 0.003044 0.128114 0.198791 -0.484786 0.001638 -0.004286 -0.000012 0.018507 -0.002153 -0.002144 0.300703 0.371216 1.353872 0.008456 0.000178 0.001347 0.282500 0.166898 -0.361280 -0.019366 -0.007784 0.012258 0.280188 -0.023195 -0.268887 -0.002577 -0.004301 -0.003667 0.037500 -0.010099 -0.008362 -0.153760 -0.039099 0.028781 0.001692 -0.003831 0.001139 -0.004402 0.007300 0.014137 -0.061940 0.033019 0.026981 0.035318 0.000438 0.009367 -0.163057 0.063139 0.256613 -0.156673 -0.157073 -0.752669 0.012513 0.004809 -0.001151 -0.136255 0.042076 0.047393 -0.014168 -0.031013 -0.006513 -0.075298 -0.083337 -0.031275 -0.000195 -0.028582 0.030596 0.002065 0.004537 -0.002047 -0.205732 -0.039813 0.292167 0.002979 -0.023805 -0.017904 0.150430 0.023165 -0.212442 -0.000647 0.012019 -0.033457 0.014277 -0.014740 0.006932 -0.006213 0.015994 -0.017652 0.177747 0.098020 0.314642 0.136539 0.228981 -0.088889 0.058486 0.142471 -0.121413 -0.017658 -0.004835 0.018159 -0.011949 -0.005442 0.010348 0.015691 0.013438 0.021026 0.000291 -0.007361 0.010328 0.024000 -0.029174 -0.003703 0.014221 0.022209 0.024785 0.151321 0.009175 -0.653687 0.014586 -0.012880 -0.643435 0.110963 0.062684 0.101062 -0.000652 -0.004077 0.016864 -0.003318 0.009020 -0.011447 0.007063 0.007361 0.006904 0.172033 -0.100409 -0.063507 -0.013857 -0.003666 0.008384 -0.038747 0.041786 -0.100654 -0.170340 -0.044535 -0.151556 0.018401 0.037590 -0.013067 -0.138651 -0.097079 0.139152 0.017175 -0.004003 0.003141 0.002591 -0.007036 -0.012308 0.002267 0.005217 -0.011810 -0.120973 -0.220888 -0.067593 -0.555118 -0.167674 0.393485 0.034116 0.003973 -0.002464 0.033588 0.007409 0.207165 -0.016797 -0.003298 0.007340 -0.042247 0.026512 -0.144997 -0.015498 -0.008816 -0.001716 -0.004750 -0.017019 0.006172 0.051783 -0.157361 -0.495202 0.006154 -0.014527 0.013210 0.047839 -0.011097 -0.019194 0.524182 -0.295006 0.886493 -0.025441 -0.006329 -0.009252 0.128165 -0.107057 -0.470856 -0.005732 -0.009062 -0.008398 0.027190 0.021580 0.099839 0.001190 0.014501 0.019600 -0.004575 0.025689 0.026219 -0.063720 0.046266 0.440591 -0.020846 0.008225 0.018857 0.072000 -0.029916 -0.023443 -0.397061 0.096522 0.168957 0.003658 -0.003857 0.014770 -0.231296 -0.025259 0.525498 0.003036 -0.004683 -0.019686 -0.255077 -0.024167 -0.156768 -0.009082 0.007695 -0.006505 0.044395 0.034637 -0.064769 0.127865 0.198829 -0.485588 0.002334 0.000865 -0.006122 0.011435 -0.015348 -0.001635 0.299580 0.373585 1.350580 0.016696 0.007767 -0.000615 0.283644 0.167992 -0.361400 -0.025073 -0.012555 0.012899 0.280426 -0.021306 -0.269719 0.003945 0.008071 -0.003229 0.025930 -0.043912 -0.006123 -0.154048 -0.039528 0.028747 0.005464 -0.003047 0.000842 -0.012885 0.013305 0.009749 -0.013983 0.015714 -0.009481 0.025262 0.000144 0.008257 -0.162454 0.062857 0.256095 -0.158356 -0.157162 -0.748524 0.010846 0.003807 -0.001963 -0.081823 0.019816 0.023981 -0.008403 -0.023509 -0.006022 -0.076375 -0.084759 -0.034853 0.002947 -0.012651 0.021538 0.001223 0.001987 0.011387 -0.205400 -0.039863 0.291847 0.001878 -0.018255 -0.018844 0.149663 0.024209 -0.212024 0.004073 0.003559 -0.032264 0.009783 -0.014851 0.006035 -0.005756 0.013645 -0.012193 0.176983 0.097939 0.313769 0.136013 0.228297 -0.086840 0.058619 0.142711 -0.120592 -0.011329 -0.006224 0.014641 -0.011689 -0.004890 0.008497 0.012790 0.008609 0.022499 -0.003812 -0.001583 0.017037 0.028158 -0.026659 -0.001360 0.012155 0.016249 0.019733 0.151189 0.008990 -0.653604 0.014256 -0.013110 -0.643655 0.111845 0.062880 0.099943 -0.004563 -0.003165 0.016285 -0.000047 0.004848 -0.012664 0.007519 0.004982 0.008753 0.171696 -0.100806 -0.064659 -0.008804 -0.004101 0.007685 -0.038413 0.041875 -0.101904 -0.170173 -0.044973 -0.151861 0.006053 0.021207 -0.011879 -0.138166 -0.096296 0.138036 0.016205 -0.002797 0.003437 -0.002062 -0.005557 -0.012919 0.006825 0.004932 -0.009204 -0.121153 -0.220464 -0.069978 -0.551786 -0.168105 0.394785 0.030282 0.005985 -0.001683 0.031610 0.010221 0.209269 -0.017494 -0.009479 0.008188 -0.042765 0.026295 -0.143601 -0.013649 -0.007595 -0.001729 -0.004752 -0.011257 0.006958 0.053547 -0.157275 -0.494812 0.003759 -0.010444 0.011488 0.024906 -0.011768 -0.010097 0.520914 -0.293395 0.887158 -0.020884 -0.004119 -0.007941 0.129133 -0.106537 -0.468736 -0.005155 -0.007009 -0.008994 0.027672 0.021666 0.099862 0.000120 0.008391 0.020737 -0.003038 0.027589 0.023727 -0.065287 0.045898 0.439300 -0.019587 0.008980 0.016301 0.050827 -0.017453 -0.021373 -0.396869 0.097324 0.170985 0.003276 -0.001250 0.012866 -0.231070 -0.027107 0.528950 0.004799 -0.003797 -0.022194 -0.255351 -0.024353 -0.156295 -0.007363 0.006380 -0.003852 -0.011528 0.053110 -0.035857 0.130517 0.198481 -0.485037 0.003258 -0.000252 -0.004257 0.014494 -0.007710 -0.002547 0.299964 0.372191 1.353488 0.013219 0.004381 -0.000079 0.283285 0.167196 -0.360652 -0.022962 -0.011436 0.011700 0.280660 -0.021647 -0.269722 0.001683 0.004531 -0.001918 0.028715 -0.027891 -0.005768 -0.156595 -0.039515 0.028947 0.002853 -0.003105 0.002025 -0.006579 0.006300 0.008240 -0.021709 0.020964 -0.002135 0.016410 -0.001818 0.006992 -0.162586 0.063026 0.255977 -0.158572 -0.156598 -0.748432 0.008074 0.003542 -0.000852 -0.056707 0.018480 0.019988 -0.006927 -0.019488 -0.005432 -0.076053 -0.085225 -0.034923 0.002343 -0.010813 0.018547 0.000812 0.002064 0.007377 -0.205481 -0.039848 0.291520 0.001650 -0.017444 -0.016923 0.149534 0.024702 -0.211892 0.006013 0.003623 -0.031989 0.008640 -0.013567 0.005910 -0.005835 0.011798 -0.013146 0.176945 0.097992 0.313523 0.135781 0.227830 -0.086185 0.058516 0.142431 -0.120528 -0.011024 -0.005158 0.013102 -0.009760 -0.003217 0.007579 0.011188 0.008235 0.020856 -0.004536 -0.000277 0.017309 0.025467 -0.027281 -0.001879 0.011374 0.014773 0.018111 0.151060 0.009109 -0.653833 0.014165 -0.013029 -0.644235 0.111702 0.062643 0.099987 -0.003603 -0.003579 0.015284 -0.001042 0.004397 -0.010901 0.007858 0.005218 0.007843 0.171604 -0.100650 -0.064871 -0.008214 -0.003813 0.006490 -0.038548 0.041949 -0.102322 -0.170284 -0.044870 -0.151993 0.007219 0.021048 -0.011646 -0.138331 -0.096465 0.138125 0.014590 -0.003406 0.003638 -0.002229 -0.003779 -0.011645 0.003772 0.001850 -0.010702 -0.121093 -0.219900 -0.070081 -0.552039 -0.168027 0.394845 0.029501 0.006533 -0.001119 0.031448 0.010232 0.209563 -0.017930 -0.011133 0.009221 -0.042852 0.026575 -0.144038 -0.012249 -0.008157 -0.001257 -0.005510 -0.010304 0.010514 0.053008 -0.157178 -0.495026 0.004883 -0.011445 0.012634 0.020208 -0.012179 -0.005827 0.520898 -0.293564 0.887343 -0.022308 -0.004694 -0.011402 0.128695 -0.106372 -0.468787 -0.005005 -0.007277 -0.009025 0.027616 0.021771 0.099327 0.000748 0.008078 0.021090 -0.001113 0.031208 0.025212 -0.064953 0.045958 0.439146 -0.019685 0.008383 0.016396 0.044776 -0.011362 -0.018321 -0.396896 0.097527 0.171566 0.002137 -0.003209 0.014631 -0.231239 -0.027312 0.529031 0.004326 -0.006234 -0.022597 -0.255501 -0.024412 -0.156607 -0.006812 0.006768 -0.003421 -0.005338 0.048367 -0.043160 0.129748 0.198559 -0.485425 0.002910 -0.001144 -0.003200 0.016639 -0.010417 -0.001732 0.299806 0.372289 1.353725 0.013168 0.004246 0.001876 0.283213 0.167123 -0.360402 -0.022554 -0.011671 0.013134 0.280576 -0.021594 -0.270101 0.000725 0.002107 -0.002152 0.032237 -0.029695 -0.008358 -0.156064 -0.039410 0.028444 0.003951 -0.003530 0.002273 -0.005351 0.009143 0.010376 -0.045025 0.036357 0.020137 0.001440 -0.005987 0.005826 -0.162287 0.063284 0.256449 -0.158539 -0.155290 -0.747675 0.001676 0.002641 0.005098 0.023012 0.015598 0.005813 -0.004197 -0.007904 -0.000844 -0.074843 -0.086748 -0.034967 0.001155 -0.005859 0.010717 -0.000521 0.002242 -0.003614 -0.204916 -0.040092 0.291568 0.000061 -0.012396 -0.008616 0.149239 0.025916 -0.210722 0.013021 0.003674 -0.032062 0.004582 -0.009575 0.006414 -0.004522 0.006171 -0.014818 0.176877 0.097439 0.313597 0.135668 0.225745 -0.082629 0.058511 0.141342 -0.119381 -0.008950 -0.003707 0.009807 -0.004578 0.000997 0.004891 0.006639 0.007983 0.014035 -0.003820 0.002428 0.010478 0.019838 -0.028093 -0.002650 0.010141 0.010770 0.015027 0.151016 0.009082 -0.653385 0.014124 -0.012910 -0.644692 0.111691 0.061739 0.100096 -0.001047 -0.003981 0.011238 -0.002987 0.002795 -0.006596 0.008306 0.004370 0.007362 0.171524 -0.100347 -0.064432 -0.005814 -0.003356 0.003737 -0.038504 0.041930 -0.102459 -0.170119 -0.044817 -0.151251 0.011703 0.020016 -0.009828 -0.138254 -0.097142 0.139265 0.011726 -0.006728 0.004594 -0.002587 0.001553 -0.005485 -0.004912 -0.008281 -0.015123 -0.120437 -0.218221 -0.069759 -0.551214 -0.168280 0.394213 0.025561 0.004563 -0.002679 0.032230 0.010900 0.210313 -0.017716 -0.008986 0.005336 -0.042857 0.027225 -0.144497 -0.010488 -0.007709 -0.000267 -0.010672 -0.007211 0.015101 0.054712 -0.157156 -0.494437 0.006211 -0.011451 0.010644 -0.005167 -0.001537 0.003388 0.519650 -0.294557 0.887250 -0.014644 -0.006108 -0.013200 0.127571 -0.105991 -0.469453 -0.002191 -0.008612 -0.005026 0.027778 0.021719 0.099151 -0.000047 0.006919 0.014547 0.000564 0.025240 0.021426 -0.066363 0.045802 0.439380 -0.015536 0.005604 0.014839 0.004769 -0.005058 -0.008273 -0.396248 0.098205 0.172043 -0.000210 -0.006453 0.013308 -0.230857 -0.029643 0.528039 0.003201 0.003106 -0.018275 -0.255501 -0.024993 -0.157003 -0.006718 0.006318 -0.001326 0.012342 0.021842 -0.056981 0.129835 0.198557 -0.485746 0.001858 -0.000477 -0.001533 0.019845 -0.015908 -0.003564 0.299591 0.372713 1.354153 0.010433 0.004446 0.007452 0.282997 0.166351 -0.361425 -0.017006 -0.012531 0.013486 0.280763 -0.021556 -0.270507 0.002642 0.002003 -0.000429 0.022291 -0.027588 -0.005888 -0.156031 -0.039306 0.028245 0.006524 -0.003957 0.003577 0.003006 0.010914 0.009455 -0.090388 0.067971 0.060119 -0.018610 -0.013025 0.007793 -0.160961 0.063742 0.257298 -0.158731 -0.152682 -0.745955 -0.012841 0.002788 0.008610 0.182916 0.006927 -0.023140 0.001890 0.006390 0.006272 -0.072288 -0.090087 -0.034581 -0.000439 0.003772 -0.002505 -0.002402 0.001807 -0.018972 -0.203088 -0.040355 0.291460 -0.001966 -0.003761 0.006950 0.149421 0.028882 -0.206966 0.026994 0.001404 -0.029919 -0.003424 -0.003288 0.005109 -0.003720 -0.006379 -0.019041 0.175499 0.097646 0.314238 0.134611 0.223051 -0.074012 0.060069 0.139149 -0.115850 -0.007522 0.000115 0.002243 0.005918 0.009411 0.000545 -0.003780 0.007532 0.000307 -0.001776 0.008578 -0.007301 0.007829 -0.029584 -0.004587 0.006797 0.001791 0.008858 0.150774 0.009129 -0.652791 0.013623 -0.012763 -0.645706 0.111583 0.059774 0.101881 0.003023 -0.005234 0.001450 -0.007686 -0.000312 0.002361 0.009079 0.002496 0.006477 0.170987 -0.099966 -0.063699 -0.001150 -0.001256 -0.002557 -0.038078 0.041862 -0.102995 -0.169740 -0.044637 -0.149700 0.018173 0.018508 -0.007444 -0.138446 -0.098313 0.141782 0.004393 -0.011863 0.005091 -0.002866 0.009742 0.004419 -0.016608 -0.021791 -0.020360 -0.119375 -0.215034 -0.069125 -0.550435 -0.169042 0.393558 0.016976 0.001327 -0.002782 0.033751 0.008879 0.212711 -0.016372 -0.001265 -0.002348 -0.043755 0.028432 -0.145379 -0.006217 -0.003717 0.000485 -0.019245 -0.001286 0.025846 0.060773 -0.156927 -0.495886 0.004729 -0.013016 0.010520 -0.052804 0.019907 0.020002 0.518209 -0.296777 0.885849 0.002517 -0.009401 -0.010929 0.125646 -0.104605 -0.470253 0.001419 -0.009245 0.003880 0.028945 0.019946 0.097862 -0.000918 0.000283 0.004748 0.001876 0.012465 0.013549 -0.071911 0.045532 0.440139 -0.002449 -0.000791 0.011628 -0.086207 0.008053 0.013548 -0.395251 0.100165 0.169078 -0.001887 -0.007655 0.014647 -0.230107 -0.031201 0.526705 -0.000807 0.017647 -0.008980 -0.256212 -0.026063 -0.158050 -0.006271 0.000693 0.002563 0.045026 -0.026904 -0.087119 0.136047 0.198328 -0.486786 0.004189 0.000791 0.001041 0.023338 -0.014424 -0.005879 0.299439 0.373589 1.356129 0.005037 0.004475 0.015816 0.282489 0.164277 -0.363488 -0.004891 -0.017276 0.012769 0.281776 -0.019689 -0.271977 0.006780 0.006020 0.003541 0.003080 -0.027198 -0.002568 -0.161888 -0.039085 0.027460 0.006123 -0.005584 0.006989 0.021770 0.008206 0.005304 -0.074519 0.057705 0.045713 -0.010614 -0.010451 0.007035 -0.161410 0.063369 0.257430 -0.158195 -0.154056 -0.746047 -0.005489 0.003377 0.007894 0.128187 0.011138 -0.013792 0.000225 0.000133 0.004459 -0.072912 -0.088931 -0.034195 0.000556 -0.000373 0.003840 -0.001511 0.001491 -0.010916 -0.203658 -0.040407 0.292028 -0.000815 -0.007526 0.001787 0.149764 0.027746 -0.207786 0.023107 0.001455 -0.030294 0.000180 -0.004990 0.005990 -0.003963 -0.003058 -0.017279 0.176665 0.097417 0.314596 0.135254 0.223896 -0.076712 0.060030 0.139745 -0.116871 -0.008153 -0.002422 0.005295 0.002571 0.005783 0.003173 0.001072 0.007442 0.003545 -0.000103 0.002975 -0.005929 0.012701 -0.028311 -0.004151 0.008204 0.004989 0.012087 0.151265 0.008906 -0.652687 0.014202 -0.012985 -0.645001 0.111977 0.060222 0.101936 0.000580 -0.004255 0.003611 -0.005531 0.000402 -0.001089 0.008187 0.001305 0.007993 0.171774 -0.100351 -0.063430 -0.001839 -0.002126 0.000924 -0.037869 0.041662 -0.102185 -0.169550 -0.044851 -0.149675 0.015090 0.019327 -0.008061 -0.138098 -0.097938 0.141411 0.006844 -0.009583 0.005101 -0.002269 0.004199 0.001825 -0.011957 -0.015858 -0.017344 -0.119396 -0.216522 -0.069389 -0.550893 -0.169155 0.393564 0.016659 -0.000757 -0.004273 0.034026 0.008864 0.212603 -0.013534 0.004234 -0.005222 -0.042933 0.027944 -0.144927 -0.007994 -0.001937 0.000914 -0.017388 -0.004310 0.017586 0.058583 -0.157304 -0.495648 0.003798 -0.009879 0.007778 -0.044880 0.018998 0.010810 0.519483 -0.296814 0.887188 0.003762 -0.008703 -0.005518 0.126724 -0.105124 -0.469778 0.001431 -0.008570 0.005858 0.028674 0.020651 0.098986 -0.001799 0.003695 0.002102 -0.001983 0.007663 0.013964 -0.069143 0.045361 0.440185 -0.002097 -0.000528 0.010686 -0.068642 0.000822 0.006942 -0.395160 0.099642 0.168132 -0.001180 -0.002995 0.010539 -0.229698 -0.030663 0.526914 -0.000205 0.020668 -0.006677 -0.255309 -0.026029 -0.157417 -0.006394 -0.000734 0.002662 0.029413 -0.017018 -0.074948 0.133377 0.198235 -0.486332 0.004201 0.004196 -0.000418 0.018949 -0.008936 -0.005534 0.299906 0.373489 1.354812 0.004451 0.004470 0.013483 0.282713 0.164501 -0.363650 -0.003812 -0.014033 0.010984 0.281480 -0.020831 -0.271122 0.006939 0.006741 0.004631 -0.000028 -0.024448 -0.000967 -0.158589 -0.039265 0.028066 0.005969 -0.004647 0.006799 0.020540 0.002823 0.001402 -0.021299 0.030050 0.011714 -0.010098 -0.009958 0.006398 -0.161351 0.063808 0.257460 -0.158690 -0.153119 -0.744847 -0.012356 0.002473 0.007389 0.117963 0.005158 -0.015623 0.001262 0.003722 0.005333 -0.072863 -0.089634 -0.034407 0.000246 0.003274 -0.000697 -0.002055 0.000762 -0.014637 -0.203517 -0.040424 0.291831 -0.001448 -0.004082 0.004941 0.149397 0.028551 -0.206722 0.024298 0.003650 -0.029755 -0.002591 -0.003697 0.005240 -0.003444 -0.004024 -0.016157 0.175676 0.097527 0.314692 0.134422 0.222989 -0.074668 0.059805 0.139472 -0.115553 -0.007155 -0.000530 0.002529 0.003777 0.006818 0.000524 -0.000345 0.007685 0.002388 -0.002124 0.004523 -0.003120 0.009840 -0.028047 -0.003756 0.006080 0.002135 0.009073 0.150699 0.009112 -0.652400 0.013522 -0.012749 -0.645274 0.111343 0.059938 0.102274 0.001712 -0.004707 0.003259 -0.006350 -0.000064 0.001334 0.007683 0.002925 0.005369 0.170995 -0.100005 -0.063378 -0.001544 -0.001161 -0.000902 -0.038152 0.041879 -0.102397 -0.169875 -0.044652 -0.149502 0.015432 0.013734 -0.007847 -0.138558 -0.098102 0.141944 0.004774 -0.010086 0.005386 -0.003619 0.006046 0.002754 -0.010288 -0.016099 -0.017227 -0.119634 -0.215465 -0.068906 -0.551465 -0.168894 0.393426 0.016724 0.001387 -0.003058 0.033424 0.008223 0.212261 -0.015263 -0.001215 -0.002293 -0.043679 0.028425 -0.145157 -0.006803 -0.004176 0.000334 -0.014133 -0.002328 0.023472 0.061318 -0.156923 -0.496340 0.005933 -0.010950 0.011028 -0.031181 0.014681 0.011809 0.519114 -0.296142 0.886699 0.000159 -0.008985 -0.011929 0.125736 -0.105038 -0.469977 0.000324 -0.008847 0.002697 0.028554 0.020796 0.098124 0.000104 0.002799 0.004672 -0.000073 0.015884 0.014487 -0.072734 0.045645 0.440536 -0.005520 -0.000257 0.011529 -0.054890 0.003747 0.007871 -0.395517 0.099781 0.170013 -0.001610 -0.006156 0.013698 -0.230102 -0.030020 0.527022 0.000211 0.014876 -0.011002 -0.256109 -0.026053 -0.157718 -0.006054 0.001685 0.002086 -0.016597 0.016476 -0.043277 0.134742 0.198281 -0.486548 0.003510 0.002210 0.000038 0.021467 -0.013055 -0.005738 0.299469 0.373201 1.354739 0.005631 0.004249 0.015861 0.282271 0.164627 -0.363240 -0.006701 -0.016273 0.012438 0.281424 -0.020526 -0.271644 0.005928 0.003211 0.003513 0.007865 -0.026775 -0.003440 -0.160868 -0.039165 0.027833 0.008365 -0.004968 0.006420 0.015458 0.006936 0.004694 0.142257 -0.053183 -0.095431 -0.004790 -0.006043 0.006641 -0.162269 0.063796 0.258142 -0.159191 -0.151572 -0.742201 -0.020271 -0.000026 0.010205 0.080233 -0.006130 -0.019281 0.005229 0.010013 0.008729 -0.071721 -0.092370 -0.034805 0.000984 0.013343 -0.010469 -0.004354 -0.002351 -0.017062 -0.204000 -0.040412 0.291765 -0.003394 0.004786 0.013689 0.148239 0.030721 -0.204655 0.034752 0.009398 -0.033295 -0.008517 0.001128 0.005225 -0.000776 -0.010970 -0.013156 0.176955 0.096634 0.314403 0.134491 0.221018 -0.071551 0.060320 0.138059 -0.114417 -0.002592 0.002987 -0.003324 0.008752 0.010497 -0.004704 0.000562 0.005024 -0.006567 -0.001202 0.001548 -0.010750 0.004933 -0.027588 -0.003942 0.001831 -0.005500 0.002503 0.150803 0.008990 -0.652278 0.014149 -0.012639 -0.646333 0.111868 0.058364 0.101890 0.003963 -0.005550 -0.004204 -0.008959 -0.003018 0.006477 0.005424 0.003985 -0.000289 0.171795 -0.099508 -0.063366 0.002525 -0.000138 -0.003937 -0.038832 0.041735 -0.103100 -0.169994 -0.044579 -0.148390 0.015376 -0.003249 -0.006742 -0.138762 -0.098895 0.142491 -0.001263 -0.012078 0.007108 -0.006101 0.005799 0.006939 -0.003769 -0.018099 -0.016588 -0.118427 -0.213277 -0.069701 -0.550037 -0.169285 0.393496 0.004403 -0.000616 -0.002986 0.033608 0.010366 0.213967 -0.009892 0.002255 0.001839 -0.042868 0.028929 -0.145989 -0.003491 -0.003027 0.000208 -0.003805 -0.000722 0.023675 0.055755 -0.157175 -0.494440 0.002863 -0.008344 0.004877 -0.016422 0.017700 0.009646 0.517164 -0.297495 0.884784 0.006718 -0.010250 -0.007627 0.124123 -0.104439 -0.469913 0.001405 -0.006733 0.009656 0.027700 0.021015 0.099183 -0.001969 -0.003053 0.000620 -0.006256 0.013399 0.005195 -0.066721 0.045320 0.439221 0.004191 -0.003482 0.008889 -0.041509 0.011323 0.010356 -0.394071 0.100602 0.169414 -0.004631 -0.006304 0.013214 -0.229467 -0.034517 0.527086 -0.001963 0.019034 -0.008873 -0.255300 -0.026619 -0.157770 -0.003379 -0.000440 0.005098 -0.186677 0.096289 0.087627 0.129604 0.198435 -0.486957 0.001400 0.000700 0.001407 0.016028 -0.007371 -0.007651 0.298979 0.373642 1.356147 0.004502 0.003966 0.023109 0.281534 0.163175 -0.365176 0.005890 -0.015677 0.013521 0.280683 -0.020902 -0.271242 0.006468 0.002814 0.004897 0.004877 -0.014496 -0.005386 -0.155535 -0.039027 0.027697 0.008010 -0.004426 0.007213 0.011832 0.004784 0.006295 0.107975 -0.035436 -0.074194 -0.005141 -0.006458 0.006290 -0.161790 0.063533 0.257800 -0.158816 -0.152183 -0.742654 -0.017300 0.000563 0.009521 0.090592 -0.002398 -0.018445 0.004489 0.007682 0.008180 -0.071734 -0.091788 -0.034707 0.000969 0.011007 -0.008016 -0.003356 -0.002512 -0.014798 -0.203625 -0.040479 0.291651 -0.002703 0.002527 0.011333 0.148707 0.029970 -0.205438 0.033307 0.008097 -0.032531 -0.006839 -0.000277 0.004758 -0.001053 -0.010219 -0.014204 0.176863 0.096920 0.314224 0.134691 0.221612 -0.072282 0.060427 0.138222 -0.114822 -0.003333 0.001806 -0.002015 0.007645 0.009771 -0.003529 0.000803 0.005285 -0.005928 -0.000228 0.001715 -0.012611 0.006278 -0.027989 -0.004488 0.003299 -0.003548 0.004561 0.151033 0.008860 -0.652331 0.014252 -0.012858 -0.646278 0.111990 0.058593 0.102170 0.003218 -0.005277 -0.003687 -0.008461 -0.002459 0.004696 0.005822 0.002909 0.001635 0.171817 -0.099930 -0.063553 0.001886 -0.000647 -0.003337 -0.038436 0.041593 -0.103108 -0.169750 -0.044743 -0.148847 0.015555 0.000812 -0.007547 -0.138532 -0.098848 0.142340 0.000411 -0.011515 0.006510 -0.005222 0.004819 0.005817 -0.005007 -0.017510 -0.016198 -0.118551 -0.214072 -0.069664 -0.549954 -0.169452 0.394336 0.004274 -0.001852 -0.002364 0.033782 0.009762 0.214823 -0.007994 0.005216 0.001425 -0.042798 0.028468 -0.146016 -0.003591 -0.002587 0.001193 -0.004563 -0.000694 0.018945 0.055662 -0.157367 -0.494933 0.000864 -0.006933 0.004503 -0.022772 0.018513 0.008369 0.517655 -0.297665 0.886115 0.007973 -0.010317 -0.002820 0.124843 -0.104718 -0.469328 0.001628 -0.006059 0.010543 0.028035 0.019262 0.099032 -0.002853 -0.003470 -0.001118 -0.006744 0.009147 0.004323 -0.066309 0.045181 0.439179 0.006275 -0.003501 0.008577 -0.047032 0.008767 0.009509 -0.393999 0.100521 0.169443 -0.003823 -0.004930 0.010247 -0.229349 -0.033941 0.527894 -0.002043 0.020356 -0.005839 -0.255161 -0.026516 -0.157894 -0.002898 -0.001320 0.005910 -0.157785 0.077192 0.067519 0.131295 0.198225 -0.487036 0.000647 0.001414 0.001499 0.012239 -0.004159 -0.007822 0.299267 0.373540 1.356238 0.001819 0.004730 0.021111 0.281820 0.163172 -0.364774 0.006799 -0.014177 0.012822 0.280937 -0.019466 -0.271470 0.006497 0.004068 0.005858 0.001101 -0.013014 -0.003669 -0.156827 -0.039168 0.027626 0.007324 -0.003966 0.007651 0.013605 0.002587 0.004117 0.079817 -0.024086 -0.055225 -0.001635 -0.005121 0.006351 -0.161137 0.063891 0.258061 -0.158876 -0.151617 -0.740832 -0.020161 -0.000492 0.009335 0.055004 -0.005285 -0.012302 0.005468 0.009069 0.008657 -0.071656 -0.092486 -0.034561 0.001477 0.012212 -0.009341 -0.003380 -0.001278 -0.017298 -0.202931 -0.040609 0.291798 -0.002514 0.005157 0.013438 0.148944 0.030793 -0.203375 0.028046 0.005733 -0.026965 -0.008723 0.001452 0.004485 -0.000754 -0.009955 -0.011848 0.175631 0.097037 0.314884 0.133868 0.220835 -0.069572 0.061249 0.137949 -0.112685 -0.002911 0.002594 -0.004148 0.007971 0.009490 -0.004724 0.001784 0.005137 -0.006732 -0.001616 0.001684 -0.010381 0.005643 -0.027061 -0.003569 0.000966 -0.006419 0.001599 0.150689 0.008969 -0.652006 0.013697 -0.012723 -0.646045 0.111501 0.058141 0.102939 0.004134 -0.005344 -0.003746 -0.007893 -0.002805 0.006146 0.005135 0.003593 -0.000407 0.171122 -0.099743 -0.063142 0.002736 0.000169 -0.003181 -0.038248 0.041674 -0.102864 -0.169698 -0.044625 -0.148178 0.014608 -0.006014 -0.006782 -0.138904 -0.099041 0.143149 -0.001359 -0.010857 0.006608 -0.006246 0.005138 0.006843 -0.000598 -0.014533 -0.014816 -0.118616 -0.213330 -0.068784 -0.550951 -0.169385 0.393043 0.003612 -0.000085 -0.003086 0.034401 0.007910 0.213696 -0.009097 0.002382 0.001279 -0.043563 0.029251 -0.146306 -0.003236 -0.000141 0.000062 -0.000559 0.000980 0.022832 0.062296 -0.157078 -0.496677 0.005347 -0.007793 0.007358 -0.007934 0.018304 0.008468 0.518220 -0.297447 0.885914 0.006798 -0.009514 -0.009199 0.123832 -0.104271 -0.469986 0.000978 -0.005868 0.009937 0.028621 0.020572 0.097925 -0.001078 -0.003120 -0.000193 -0.006634 0.013977 0.004932 -0.073301 0.045345 0.439959 0.002284 -0.004000 0.007402 -0.037397 0.005902 0.008988 -0.394444 0.100709 0.167666 -0.004423 -0.006533 0.015695 -0.229035 -0.032518 0.526860 -0.001171 0.019036 -0.008990 -0.255941 -0.027050 -0.158423 -0.003108 -0.002874 0.004427 -0.121687 0.071776 0.041477 0.135210 0.198148 -0.487553 0.004011 0.000839 0.000936 0.015791 -0.007364 -0.008078 0.299534 0.373523 1.356228 0.004115 0.003535 0.021558 0.281254 0.162749 -0.365440 0.005749 -0.015431 0.011000 0.281520 -0.020533 -0.272239 0.006493 0.002976 0.005039 0.007277 -0.015094 -0.006827 -0.161022 -0.039139 0.027312 0.005175 -0.003836 0.006438 0.010427 0.003867 0.005782 -0.008100 0.013828 0.000330 0.011030 -0.002210 0.006796 -0.162134 0.063923 0.258617 -0.159134 -0.150562 -0.736466 -0.024980 -0.003852 0.010692 -0.055256 0.001410 0.000355 0.007950 0.010575 0.011020 -0.071142 -0.094725 -0.034489 0.002953 0.014394 -0.013608 -0.004533 -0.003525 -0.013560 -0.203637 -0.040587 0.291795 -0.004544 0.012164 0.019226 0.148108 0.032395 -0.201422 0.020944 -0.000268 -0.007325 -0.011467 0.006373 0.002462 0.002408 -0.011629 -0.005291 0.176896 0.096624 0.314829 0.133598 0.219521 -0.067512 0.061835 0.136891 -0.111165 0.001234 0.006658 -0.010311 0.008850 0.010057 -0.009504 0.005435 0.002101 -0.013564 -0.001052 -0.006259 -0.017848 0.002411 -0.026499 -0.002590 -0.004201 -0.012479 -0.004640 0.150864 0.008886 -0.651603 0.014356 -0.012602 -0.647181 0.111652 0.056693 0.103208 0.005295 -0.005318 -0.009497 -0.008910 -0.004672 0.009736 0.001603 0.004498 -0.006880 0.171729 -0.099384 -0.063032 0.004764 0.001821 -0.004132 -0.038853 0.041563 -0.103296 -0.169913 -0.044531 -0.147114 0.013354 -0.023594 -0.006426 -0.139480 -0.099789 0.143890 -0.003468 -0.010437 0.006553 -0.007401 0.002487 0.009536 0.011412 -0.008506 -0.010799 -0.117695 -0.211637 -0.068628 -0.551116 -0.169637 0.394135 -0.004612 0.000189 -0.000284 0.034447 0.008331 0.215428 -0.003168 0.004610 0.002865 -0.042835 0.029527 -0.147058 -0.000926 -0.001391 -0.001447 0.016095 0.004690 0.020337 0.056764 -0.157351 -0.495923 0.002065 -0.003947 0.002457 0.024267 0.022545 0.004514 0.517936 -0.298475 0.884874 0.010942 -0.011002 -0.004433 0.122499 -0.104128 -0.469307 0.001241 -0.003562 0.015528 0.027663 0.019564 0.098882 -0.002757 -0.006266 -0.004998 -0.015494 0.009085 -0.003166 -0.067725 0.045109 0.439040 0.008797 -0.007495 0.002626 0.004909 0.002224 0.001086 -0.393021 0.101199 0.168803 -0.004853 -0.007859 0.013764 -0.228752 -0.035112 0.527820 -0.002619 0.019340 -0.006001 -0.255293 -0.027343 -0.158403 -0.000665 -0.003089 0.005280 -0.004068 0.028403 -0.020875 0.130640 0.198320 -0.487923 0.001059 0.000427 0.001694 0.007234 0.001995 -0.010388 0.299173 0.374196 1.355834 0.001836 0.003113 0.026336 0.280722 0.161775 -0.367215 0.012963 -0.010844 0.010141 0.280671 -0.019578 -0.271827 0.005642 0.002803 0.006339 0.007315 -0.001487 -0.008294 -0.156506 -0.039028 0.027234 0.006717 -0.002445 0.005651 0.000033 0.002798 0.005712 -0.012139 0.015927 0.002713 0.011395 -0.002159 0.005746 -0.161399 0.063824 0.258153 -0.158703 -0.150922 -0.735243 -0.021612 -0.002520 0.008447 -0.039650 0.000407 -0.000237 0.007142 0.007831 0.010971 -0.071395 -0.094597 -0.034043 0.002626 0.010539 -0.009474 -0.002120 -0.002561 -0.011133 -0.203048 -0.040677 0.291488 -0.004335 0.010724 0.016750 0.148329 0.032046 -0.201391 0.017679 -0.001809 -0.005479 -0.009817 0.006360 0.001364 0.003023 -0.009381 -0.004484 0.176049 0.096801 0.314485 0.133242 0.219575 -0.067028 0.062119 0.136883 -0.110478 0.000446 0.006190 -0.010121 0.006736 0.009167 -0.007973 0.005084 0.001670 -0.013873 -0.000927 -0.005472 -0.019011 0.001781 -0.025959 -0.002763 -0.004558 -0.011472 -0.004252 0.150574 0.008880 -0.651982 0.013825 -0.012789 -0.647635 0.111203 0.056609 0.103800 0.005018 -0.004538 -0.009233 -0.007502 -0.003916 0.008602 0.001215 0.003266 -0.005307 0.171200 -0.099617 -0.063461 0.003741 0.001807 -0.003021 -0.038668 0.041505 -0.103638 -0.169829 -0.044621 -0.147583 0.011514 -0.019732 -0.007161 -0.139685 -0.099935 0.144030 -0.003139 -0.009565 0.004880 -0.007438 0.004250 0.008306 0.010203 -0.008591 -0.010372 -0.118070 -0.211916 -0.068006 -0.549591 -0.169818 0.395593 -0.006319 -0.000768 0.001198 0.034290 0.008142 0.216835 -0.003565 0.005308 0.002048 -0.043257 0.029718 -0.147125 -0.000334 -0.002084 -0.001044 0.017523 0.005236 0.016521 0.058882 -0.157249 -0.495998 0.000082 -0.001441 0.002097 0.019866 0.022279 0.003642 0.516195 -0.298656 0.887012 0.012128 -0.009754 -0.001588 0.122911 -0.104086 -0.467901 0.001663 -0.001826 0.017474 0.027968 0.018988 0.098058 -0.003474 -0.005278 -0.006336 -0.016080 0.005769 -0.003973 -0.069958 0.045065 0.438629 0.009804 -0.007764 0.001869 -0.001019 0.000352 0.000591 -0.392848 0.101404 0.169150 -0.004283 -0.006032 0.011776 -0.229163 -0.035327 0.529198 -0.003124 0.019283 -0.003738 -0.255573 -0.027705 -0.158833 0.000184 -0.004295 0.005994 0.000745 0.022589 -0.027073 0.132522 0.198047 -0.488149 0.000593 0.001309 0.001339 0.004042 0.003544 -0.010423 0.299110 0.374418 1.356238 0.001086 0.003675 0.025325 0.280912 0.161471 -0.366496 0.014662 -0.008450 0.008408 0.280901 -0.019130 -0.272553 0.005846 0.003692 0.007514 0.006427 -0.002431 -0.008971 -0.158494 -0.039115 0.026863 0.006354 -0.001366 0.005693 0.002273 0.000779 0.005784</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.00267"
                           xFract="0.00031635"
                           y3="4.17741"
                           yFract="0.49495379"
                           z3="9.60218"
                           zFract="0.43214131"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.42905"
                           xFract="0.99870261"
                           y3="6.25403"
                           yFract="0.74099882"
                           z3="8.4271"
                           zFract="0.37925743"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32723"
                           xFract="0.7496718"
                           y3="0.01148"
                           yFract="0.00136019"
                           z3="4.23316"
                           zFract="0.19051125"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="8.4283"
                           xFract="0.99861374"
                           y3="2.16466"
                           yFract="0.2564763"
                           z3="8.45207"
                           zFract="0.38038119"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33787"
                           xFract="0.75093246"
                           y3="6.32841"
                           yFract="0.74981161"
                           z3="6.3331"
                           zFract="0.285018"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20654"
                           xFract="0.49840521"
                           y3="6.33818"
                           yFract="0.75096919"
                           z3="4.20723"
                           zFract="0.18934428"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42454"
                           xFract="0.99816825"
                           y3="0.01145"
                           yFract="0.00135664"
                           z3="6.32675"
                           zFract="0.28473222"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42348"
                           xFract="0.99804265"
                           y3="2.09942"
                           yFract="0.24874645"
                           z3="4.2141"
                           zFract="0.18965347"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0977"
                           xFract="0.24854265"
                           y3="4.19115"
                           yFract="0.49658175"
                           z3="8.43107"
                           zFract="0.37943609"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11014"
                           xFract="0.25001659"
                           y3="4.2076"
                           yFract="0.49853081"
                           z3="4.24985"
                           zFract="0.19126238"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.09188"
                           xFract="0.24785308"
                           y3="6.33804"
                           yFract="0.75095261"
                           z3="6.33915"
                           zFract="0.28529028"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09714"
                           xFract="0.2484763"
                           y3="0.00477"
                           yFract="0.00056517"
                           z3="4.21015"
                           zFract="0.1894757"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24539"
                           xFract="0.50300829"
                           y3="0.04174"
                           yFract="0.0049455"
                           z3="6.30637"
                           zFract="0.28381503"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34658"
                           xFract="0.75196445"
                           y3="2.12112"
                           yFract="0.25131754"
                           z3="6.38873"
                           zFract="0.2875216"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.34556"
                           xFract="0.7518436"
                           y3="4.19487"
                           yFract="0.49702251"
                           z3="8.69635"
                           zFract="0.39137489"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2487"
                           xFract="0.50340047"
                           y3="2.11612"
                           yFract="0.25072512"
                           z3="8.59442"
                           zFract="0.38678758"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42445"
                           xFract="0.99815758"
                           y3="6.29773"
                           yFract="0.74617654"
                           z3="4.23821"
                           zFract="0.19073852"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42541"
                           xFract="0.99827133"
                           y3="4.19096"
                           yFract="0.49655924"
                           z3="6.41053"
                           zFract="0.2885027"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21621"
                           xFract="0.49955095"
                           y3="2.11623"
                           yFract="0.25073815"
                           z3="4.17312"
                           zFract="0.18780918"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1237"
                           xFract="0.25162322"
                           y3="2.1164"
                           yFract="0.25075829"
                           z3="6.35844"
                           zFract="0.28615842"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.34971"
                           xFract="0.75233531"
                           y3="4.19713"
                           yFract="0.49729028"
                           z3="4.24456"
                           zFract="0.1910243"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23899"
                           xFract="0.50225"
                           y3="6.32626"
                           yFract="0.74955687"
                           z3="8.46978"
                           zFract="0.38117822"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28185"
                           xFract="0.5073282"
                           y3="4.17068"
                           yFract="0.4941564"
                           z3="6.41055"
                           zFract="0.2885036"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10501"
                           xFract="0.24940877"
                           y3="0.01911"
                           yFract="0.00226422"
                           z3="8.40946"
                           zFract="0.37846355"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33933"
                           xFract="0.75110545"
                           y3="0.03542"
                           yFract="0.00419668"
                           z3="8.47119"
                           zFract="0.38124167"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30738"
                           xFract="0.98428673"
                           y3="1.93461"
                           yFract="0.22921919"
                           z3="6.28966"
                           zFract="0.28306301"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15675"
                           xFract="0.2555391"
                           y3="8.41799"
                           yFract="0.99739218"
                           z3="6.28447"
                           zFract="0.28282943"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43753"
                           xFract="0.99970735"
                           y3="0.01177"
                           yFract="0.00139455"
                           z3="4.27587"
                           zFract="0.19243339"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41518"
                           xFract="0.99705924"
                           y3="0.06135"
                           yFract="0.00726896"
                           z3="8.32597"
                           zFract="0.37470612"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10533"
                           xFract="0.24944668"
                           y3="2.10736"
                           yFract="0.2496872"
                           z3="4.2697"
                           zFract="0.19215572"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00096"
                           xFract="0.23708057"
                           y3="2.11272"
                           yFract="0.25032227"
                           z3="8.45444"
                           zFract="0.38048785"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38197"
                           xFract="0.51919076"
                           y3="2.10302"
                           yFract="0.24917299"
                           z3="6.18698"
                           zFract="0.27844194"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31354"
                           xFract="0.74804976"
                           y3="8.30554"
                           yFract="0.98406872"
                           z3="6.28482"
                           zFract="0.28284518"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20987"
                           xFract="0.49879976"
                           y3="8.30685"
                           yFract="0.98422393"
                           z3="4.19123"
                           zFract="0.18862421"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25303"
                           xFract="0.50391351"
                           y3="0.01138"
                           yFract="0.00134834"
                           z3="8.45361"
                           zFract="0.3804505"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32545"
                           xFract="0.7494609"
                           y3="2.06945"
                           yFract="0.2451955"
                           z3="4.08414"
                           zFract="0.18380468"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.44452"
                           xFract="0.76356872"
                           y3="2.13171"
                           yFract="0.25257227"
                           z3="8.5825"
                           zFract="0.38625113"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41805"
                           xFract="0.99739929"
                           y3="6.50809"
                           yFract="0.77110071"
                           z3="6.33643"
                           zFract="0.28516787"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06087"
                           xFract="0.24417891"
                           y3="4.25785"
                           yFract="0.5044846"
                           z3="6.35998"
                           zFract="0.28622772"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02974"
                           xFract="0.0035237"
                           y3="4.1747"
                           yFract="0.4946327"
                           z3="4.17064"
                           zFract="0.18769757"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00267"
                           xFract="0.00031635"
                           y3="4.17741"
                           yFract="0.49495379"
                           z3="8.60228"
                           zFract="0.38714131"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20403"
                           xFract="0.261141"
                           y3="6.32853"
                           yFract="0.74982583"
                           z3="4.25812"
                           zFract="0.19163456"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07435"
                           xFract="0.24577607"
                           y3="6.32564"
                           yFract="0.74948341"
                           z3="8.44644"
                           zFract="0.38012781"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23614"
                           xFract="0.50191232"
                           y3="6.34976"
                           yFract="0.75234123"
                           z3="6.25477"
                           zFract="0.2814928"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.39808"
                           xFract="0.75806635"
                           y3="4.35169"
                           yFract="0.51560308"
                           z3="6.27632"
                           zFract="0.28246265"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19899"
                           xFract="0.49751066"
                           y3="4.37862"
                           yFract="0.51879384"
                           z3="4.24603"
                           zFract="0.19109046"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2130"
                           xFract="0.49917062"
                           y3="4.21274"
                           yFract="0.49913981"
                           z3="8.5353"
                           zFract="0.38412691"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19479"
                           xFract="0.73397986"
                           y3="6.36733"
                           yFract="0.75442299"
                           z3="4.21071"
                           zFract="0.1895009"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38379"
                           xFract="0.75637322"
                           y3="6.31251"
                           yFract="0.74792773"
                           z3="8.42412"
                           zFract="0.37912331"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a65" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.0052"
                           xFract="-0.00061611"
                           y3="4.17806"
                           yFract="0.49503081"
                           z3="9.59983"
                           zFract="0.43203555"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.42328"
                           xFract="0.99801896"
                           y3="6.31331"
                           yFract="0.74802251"
                           z3="8.41682"
                           zFract="0.37879478"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32783"
                           xFract="0.74974289"
                           y3="0.01182"
                           yFract="0.00140047"
                           z3="4.23268"
                           zFract="0.19048965"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="8.42274"
                           xFract="0.99795498"
                           y3="2.09629"
                           yFract="0.24837559"
                           z3="8.44358"
                           zFract="0.3799991"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33848"
                           xFract="0.75100474"
                           y3="6.33127"
                           yFract="0.75015047"
                           z3="6.33079"
                           zFract="0.28491404"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20733"
                           xFract="0.49849882"
                           y3="6.33956"
                           yFract="0.7511327"
                           z3="4.20685"
                           zFract="0.18932718"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42471"
                           xFract="0.99818839"
                           y3="0.00982"
                           yFract="0.00116351"
                           z3="6.32719"
                           zFract="0.28475203"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42344"
                           xFract="0.99803791"
                           y3="2.1022"
                           yFract="0.24907583"
                           z3="4.21433"
                           zFract="0.18966382"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.15165"
                           xFract="0.25493483"
                           y3="4.19114"
                           yFract="0.49658057"
                           z3="8.4013"
                           zFract="0.37809631"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10722"
                           xFract="0.24967062"
                           y3="4.20756"
                           yFract="0.49852607"
                           z3="4.24762"
                           zFract="0.19116202"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0914"
                           xFract="0.24779621"
                           y3="6.33921"
                           yFract="0.75109123"
                           z3="6.33542"
                           zFract="0.28512241"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09682"
                           xFract="0.24843839"
                           y3="0.00533"
                           yFract="0.00063152"
                           z3="4.20943"
                           zFract="0.18944329"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24567"
                           xFract="0.50304147"
                           y3="0.04152"
                           yFract="0.00491943"
                           z3="6.3043"
                           zFract="0.28372187"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34717"
                           xFract="0.75203436"
                           y3="2.12017"
                           yFract="0.25120498"
                           z3="6.38823"
                           zFract="0.2874991"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.28879"
                           xFract="0.7451173"
                           y3="4.19559"
                           yFract="0.49710782"
                           z3="8.68367"
                           zFract="0.39080423"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25122"
                           xFract="0.50369905"
                           y3="2.11881"
                           yFract="0.25104384"
                           z3="8.59424"
                           zFract="0.38677948"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42421"
                           xFract="0.99812915"
                           y3="6.29899"
                           yFract="0.74632583"
                           z3="4.23928"
                           zFract="0.19078668"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42078"
                           xFract="0.99772275"
                           y3="4.19226"
                           yFract="0.49671327"
                           z3="6.35885"
                           zFract="0.28617687"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21626"
                           xFract="0.49955687"
                           y3="2.11577"
                           yFract="0.25068365"
                           z3="4.17178"
                           zFract="0.18774887"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12345"
                           xFract="0.2515936"
                           y3="2.11491"
                           yFract="0.25058175"
                           z3="6.35555"
                           zFract="0.28602835"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35295"
                           xFract="0.75271919"
                           y3="4.19718"
                           yFract="0.49729621"
                           z3="4.24289"
                           zFract="0.19094914"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24268"
                           xFract="0.5026872"
                           y3="6.32345"
                           yFract="0.74922393"
                           z3="8.46806"
                           zFract="0.38110081"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28245"
                           xFract="0.50739929"
                           y3="4.17007"
                           yFract="0.49408412"
                           z3="6.41056"
                           zFract="0.28850405"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1022"
                           xFract="0.24907583"
                           y3="0.0202"
                           yFract="0.00239336"
                           z3="8.40697"
                           zFract="0.37835149"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34195"
                           xFract="0.75141588"
                           y3="0.03446"
                           yFract="0.00408294"
                           z3="8.47028"
                           zFract="0.38120072"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30774"
                           xFract="0.98432938"
                           y3="1.94979"
                           yFract="0.23101777"
                           z3="6.28537"
                           zFract="0.28286994"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15624"
                           xFract="0.25547867"
                           y3="8.41677"
                           yFract="0.99724763"
                           z3="6.28883"
                           zFract="0.28302565"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43775"
                           xFract="0.99973341"
                           y3="0.00846"
                           yFract="0.00100237"
                           z3="4.27038"
                           zFract="0.19218632"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41817"
                           xFract="0.99741351"
                           y3="0.06406"
                           yFract="0.00759005"
                           z3="8.33574"
                           zFract="0.37514581"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10461"
                           xFract="0.24936137"
                           y3="2.10702"
                           yFract="0.24964692"
                           z3="4.26825"
                           zFract="0.19209046"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99532"
                           xFract="0.23641232"
                           y3="2.12355"
                           yFract="0.25160545"
                           z3="8.46315"
                           zFract="0.38087984"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38155"
                           xFract="0.519141"
                           y3="2.10415"
                           yFract="0.24930687"
                           z3="6.18959"
                           zFract="0.27855941"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31439"
                           xFract="0.74815047"
                           y3="8.30654"
                           yFract="0.9841872"
                           z3="6.28637"
                           zFract="0.28291494"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20967"
                           xFract="0.49877607"
                           y3="8.30711"
                           yFract="0.98425474"
                           z3="4.19095"
                           zFract="0.18861161"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24942"
                           xFract="0.50348578"
                           y3="0.01064"
                           yFract="0.00126066"
                           z3="8.45571"
                           zFract="0.380545"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32617"
                           xFract="0.74954621"
                           y3="2.06864"
                           yFract="0.24509953"
                           z3="4.08408"
                           zFract="0.18380198"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.45263"
                           xFract="0.76452962"
                           y3="2.1302"
                           yFract="0.25239336"
                           z3="8.58818"
                           zFract="0.38650675"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41932"
                           xFract="0.99754976"
                           y3="6.49341"
                           yFract="0.76936137"
                           z3="6.33416"
                           zFract="0.28506571"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.04976"
                           xFract="0.24286256"
                           y3="4.26001"
                           yFract="0.50474052"
                           z3="6.37215"
                           zFract="0.28677543"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02978"
                           xFract="0.00352844"
                           y3="4.17754"
                           yFract="0.49496919"
                           z3="4.15416"
                           zFract="0.1869559"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04044"
                           xFract="0.00479147"
                           y3="4.18107"
                           yFract="0.49538744"
                           z3="8.70421"
                           zFract="0.39172862"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20515"
                           xFract="0.2612737"
                           y3="6.32852"
                           yFract="0.74982464"
                           z3="4.25865"
                           zFract="0.19165842"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06749"
                           xFract="0.24496327"
                           y3="6.31397"
                           yFract="0.74810071"
                           z3="8.45372"
                           zFract="0.38045545"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23538"
                           xFract="0.50182227"
                           y3="6.34866"
                           yFract="0.7522109"
                           z3="6.25841"
                           zFract="0.28165662"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40806"
                           xFract="0.75924882"
                           y3="4.34982"
                           yFract="0.51538152"
                           z3="6.28405"
                           zFract="0.28281053"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19878"
                           xFract="0.49748578"
                           y3="4.37818"
                           yFract="0.51874171"
                           z3="4.2474"
                           zFract="0.19115212"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19547"
                           xFract="0.4970936"
                           y3="4.21418"
                           yFract="0.49931043"
                           z3="8.53801"
                           zFract="0.38424887"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19387"
                           xFract="0.73387085"
                           y3="6.36731"
                           yFract="0.75442062"
                           z3="4.21139"
                           zFract="0.1895315"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38998"
                           xFract="0.75710664"
                           y3="6.31418"
                           yFract="0.74812559"
                           z3="8.42875"
                           zFract="0.37933168"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a65" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.00358"
                           xFract="-0.00042417"
                           y3="4.17793"
                           yFract="0.4950154"
                           z3="9.60032"
                           zFract="0.43205761"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.42447"
                           xFract="0.99815995"
                           y3="6.3011"
                           yFract="0.74657583"
                           z3="8.41894"
                           zFract="0.37889019"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32771"
                           xFract="0.74972867"
                           y3="0.01175"
                           yFract="0.00139218"
                           z3="4.23278"
                           zFract="0.19049415"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="8.42389"
                           xFract="0.99809123"
                           y3="2.11037"
                           yFract="0.25004384"
                           z3="8.44533"
                           zFract="0.38007786"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33836"
                           xFract="0.75099052"
                           y3="6.33068"
                           yFract="0.75008057"
                           z3="6.33127"
                           zFract="0.28493564"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20717"
                           xFract="0.49847986"
                           y3="6.33927"
                           yFract="0.75109834"
                           z3="4.20693"
                           zFract="0.18933078"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42467"
                           xFract="0.99818365"
                           y3="0.01016"
                           yFract="0.00120379"
                           z3="6.3271"
                           zFract="0.28474797"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42345"
                           xFract="0.9980391"
                           y3="2.10162"
                           yFract="0.24900711"
                           z3="4.21428"
                           zFract="0.18966157"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14054"
                           xFract="0.25361848"
                           y3="4.19114"
                           yFract="0.49658057"
                           z3="8.40743"
                           zFract="0.37837219"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10782"
                           xFract="0.24974171"
                           y3="4.20757"
                           yFract="0.49852725"
                           z3="4.24808"
                           zFract="0.19118272"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0915"
                           xFract="0.24780806"
                           y3="6.33897"
                           yFract="0.7510628"
                           z3="6.33618"
                           zFract="0.28515662"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09689"
                           xFract="0.24844668"
                           y3="0.00521"
                           yFract="0.0006173"
                           z3="4.20958"
                           zFract="0.18945005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24562"
                           xFract="0.50303555"
                           y3="0.04157"
                           yFract="0.00492536"
                           z3="6.30473"
                           zFract="0.28374122"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34705"
                           xFract="0.75202014"
                           y3="2.12037"
                           yFract="0.25122867"
                           z3="6.38833"
                           zFract="0.2875036"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.30048"
                           xFract="0.74650237"
                           y3="4.19544"
                           yFract="0.49709005"
                           z3="8.68628"
                           zFract="0.39092169"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2507"
                           xFract="0.50363744"
                           y3="2.11825"
                           yFract="0.25097749"
                           z3="8.59428"
                           zFract="0.38678128"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42426"
                           xFract="0.99813507"
                           y3="6.29873"
                           yFract="0.74629502"
                           z3="4.23906"
                           zFract="0.19077678"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42174"
                           xFract="0.99783649"
                           y3="4.19199"
                           yFract="0.49668128"
                           z3="6.36949"
                           zFract="0.28665572"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21625"
                           xFract="0.49955569"
                           y3="2.11586"
                           yFract="0.25069431"
                           z3="4.17206"
                           zFract="0.18776148"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12351"
                           xFract="0.25160071"
                           y3="2.11521"
                           yFract="0.2506173"
                           z3="6.35614"
                           zFract="0.28605491"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35228"
                           xFract="0.75263981"
                           y3="4.19717"
                           yFract="0.49729502"
                           z3="4.24324"
                           zFract="0.1909649"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24192"
                           xFract="0.50259716"
                           y3="6.32403"
                           yFract="0.74929265"
                           z3="8.46841"
                           zFract="0.38111656"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28233"
                           xFract="0.50738507"
                           y3="4.1702"
                           yFract="0.49409953"
                           z3="6.41055"
                           zFract="0.2885036"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10278"
                           xFract="0.24914455"
                           y3="0.01998"
                           yFract="0.0023673"
                           z3="8.40748"
                           zFract="0.37837444"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34141"
                           xFract="0.7513519"
                           y3="0.03466"
                           yFract="0.00410664"
                           z3="8.47047"
                           zFract="0.38120927"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30767"
                           xFract="0.98432109"
                           y3="1.94666"
                           yFract="0.23064692"
                           z3="6.28625"
                           zFract="0.28290954"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15635"
                           xFract="0.25549171"
                           y3="8.41702"
                           yFract="0.99727725"
                           z3="6.28793"
                           zFract="0.28298515"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.4377"
                           xFract="0.99972749"
                           y3="0.00914"
                           yFract="0.00108294"
                           z3="4.27151"
                           zFract="0.19223717"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41756"
                           xFract="0.99734123"
                           y3="0.0635"
                           yFract="0.0075237"
                           z3="8.33372"
                           zFract="0.37505491"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10476"
                           xFract="0.24937915"
                           y3="2.10709"
                           yFract="0.24965521"
                           z3="4.26855"
                           zFract="0.19210396"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99648"
                           xFract="0.23654976"
                           y3="2.12132"
                           yFract="0.25134123"
                           z3="8.46136"
                           zFract="0.38079928"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38163"
                           xFract="0.51915047"
                           y3="2.10392"
                           yFract="0.24927962"
                           z3="6.18905"
                           zFract="0.2785351"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31421"
                           xFract="0.74812915"
                           y3="8.30633"
                           yFract="0.98416232"
                           z3="6.28605"
                           zFract="0.28290054"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20971"
                           xFract="0.49878081"
                           y3="8.30705"
                           yFract="0.98424763"
                           z3="4.19101"
                           zFract="0.18861431"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25016"
                           xFract="0.50357346"
                           y3="0.01079"
                           yFract="0.00127844"
                           z3="8.45527"
                           zFract="0.3805252"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32602"
                           xFract="0.74952844"
                           y3="2.06881"
                           yFract="0.24511967"
                           z3="4.08409"
                           zFract="0.18380243"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.45096"
                           xFract="0.76433175"
                           y3="2.13051"
                           yFract="0.25243009"
                           z3="8.58701"
                           zFract="0.3864541"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41906"
                           xFract="0.99751896"
                           y3="6.49643"
                           yFract="0.76971919"
                           z3="6.33463"
                           zFract="0.28508686"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05205"
                           xFract="0.24313389"
                           y3="4.25956"
                           yFract="0.5046872"
                           z3="6.36965"
                           zFract="0.28666292"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02977"
                           xFract="0.00352725"
                           y3="4.17696"
                           yFract="0.49490047"
                           z3="4.15755"
                           zFract="0.18710846"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03266"
                           xFract="0.00386967"
                           y3="4.18031"
                           yFract="0.49529739"
                           z3="8.68322"
                           zFract="0.39078398"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20492"
                           xFract="0.26124645"
                           y3="6.32852"
                           yFract="0.74982464"
                           z3="4.25854"
                           zFract="0.19165347"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0689"
                           xFract="0.24513033"
                           y3="6.31638"
                           yFract="0.74838626"
                           z3="8.45222"
                           zFract="0.38038794"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23554"
                           xFract="0.50184123"
                           y3="6.34888"
                           yFract="0.75223697"
                           z3="6.25766"
                           zFract="0.28162286"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40601"
                           xFract="0.75900592"
                           y3="4.35021"
                           yFract="0.51542773"
                           z3="6.28246"
                           zFract="0.28273897"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19882"
                           xFract="0.49749052"
                           y3="4.37827"
                           yFract="0.51875237"
                           z3="4.24712"
                           zFract="0.19113951"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19908"
                           xFract="0.49752133"
                           y3="4.21389"
                           yFract="0.49927607"
                           z3="8.53745"
                           zFract="0.38422367"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19406"
                           xFract="0.73389336"
                           y3="6.36732"
                           yFract="0.7544218"
                           z3="4.21125"
                           zFract="0.1895252"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3887"
                           xFract="0.75695498"
                           y3="6.31384"
                           yFract="0.74808531"
                           z3="8.4278"
                           zFract="0.37928893"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a65" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.00884"
                           xFract="-0.00104739"
                           y3="4.17814"
                           yFract="0.49504028"
                           z3="9.63915"
                           zFract="0.43380513"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.42247"
                           xFract="0.99792299"
                           y3="6.32888"
                           yFract="0.7498673"
                           z3="8.41445"
                           zFract="0.37868812"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32817"
                           xFract="0.74978318"
                           y3="0.01195"
                           yFract="0.00141588"
                           z3="4.23244"
                           zFract="0.19047885"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="8.42226"
                           xFract="0.9978981"
                           y3="2.0807"
                           yFract="0.24652844"
                           z3="8.44204"
                           zFract="0.37992979"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33872"
                           xFract="0.75103318"
                           y3="6.33184"
                           yFract="0.75021801"
                           z3="6.3302"
                           zFract="0.28488749"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20755"
                           xFract="0.49852488"
                           y3="6.33973"
                           yFract="0.75115284"
                           z3="4.20675"
                           zFract="0.18932268"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42485"
                           xFract="0.99820498"
                           y3="0.00939"
                           yFract="0.00111256"
                           z3="6.3266"
                           zFract="0.28472547"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42341"
                           xFract="0.99803436"
                           y3="2.10255"
                           yFract="0.2491173"
                           z3="4.21398"
                           zFract="0.18964806"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.16437"
                           xFract="0.25644194"
                           y3="4.19106"
                           yFract="0.49657109"
                           z3="8.39376"
                           zFract="0.37775698"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10667"
                           xFract="0.24960545"
                           y3="4.20759"
                           yFract="0.49852962"
                           z3="4.24681"
                           zFract="0.19112556"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.09121"
                           xFract="0.2477737"
                           y3="6.33965"
                           yFract="0.75114336"
                           z3="6.3347"
                           zFract="0.28509001"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09658"
                           xFract="0.24840995"
                           y3="0.00551"
                           yFract="0.00065284"
                           z3="4.20917"
                           zFract="0.18943159"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24576"
                           xFract="0.50305213"
                           y3="0.0415"
                           yFract="0.00491706"
                           z3="6.3039"
                           zFract="0.28370387"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3472"
                           xFract="0.75203791"
                           y3="2.11987"
                           yFract="0.25116943"
                           z3="6.38802"
                           zFract="0.28748965"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.27357"
                           xFract="0.74331398"
                           y3="4.19542"
                           yFract="0.49708768"
                           z3="8.67945"
                           zFract="0.39061431"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25199"
                           xFract="0.50379028"
                           y3="2.11899"
                           yFract="0.25106517"
                           z3="8.5943"
                           zFract="0.38678218"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42414"
                           xFract="0.99812085"
                           y3="6.29965"
                           yFract="0.74640403"
                           z3="4.23935"
                           zFract="0.19078983"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41959"
                           xFract="0.99758175"
                           y3="4.19296"
                           yFract="0.49679621"
                           z3="6.3451"
                           zFract="0.28555806"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21629"
                           xFract="0.49956043"
                           y3="2.11567"
                           yFract="0.2506718"
                           z3="4.17142"
                           zFract="0.18773267"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1234"
                           xFract="0.25158768"
                           y3="2.11436"
                           yFract="0.25051659"
                           z3="6.35499"
                           zFract="0.28600315"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35353"
                           xFract="0.75278791"
                           y3="4.19721"
                           yFract="0.49729976"
                           z3="4.24231"
                           zFract="0.19092304"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24352"
                           xFract="0.50278673"
                           y3="6.32377"
                           yFract="0.74926185"
                           z3="8.46758"
                           zFract="0.38107921"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28302"
                           xFract="0.50746682"
                           y3="4.16986"
                           yFract="0.49405924"
                           z3="6.40949"
                           zFract="0.2884559"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10254"
                           xFract="0.24911611"
                           y3="0.02052"
                           yFract="0.00243128"
                           z3="8.40638"
                           zFract="0.37832493"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34143"
                           xFract="0.75135427"
                           y3="0.03416"
                           yFract="0.00404739"
                           z3="8.47008"
                           zFract="0.38119172"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30792"
                           xFract="0.98435071"
                           y3="1.95537"
                           yFract="0.23167891"
                           z3="6.28418"
                           zFract="0.28281638"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15586"
                           xFract="0.25543365"
                           y3="8.41632"
                           yFract="0.99719431"
                           z3="6.28999"
                           zFract="0.28307786"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43784"
                           xFract="0.99974408"
                           y3="0.00768"
                           yFract="0.00090995"
                           z3="4.26837"
                           zFract="0.19209586"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41909"
                           xFract="0.99752251"
                           y3="0.06396"
                           yFract="0.0075782"
                           z3="8.33911"
                           zFract="0.37529748"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1042"
                           xFract="0.2493128"
                           y3="2.10705"
                           yFract="0.24965047"
                           z3="4.26784"
                           zFract="0.19207201"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9936"
                           xFract="0.23620853"
                           y3="2.12493"
                           yFract="0.25176896"
                           z3="8.46529"
                           zFract="0.38097615"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38135"
                           xFract="0.5191173"
                           y3="2.10476"
                           yFract="0.24937915"
                           z3="6.19056"
                           zFract="0.27860306"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31487"
                           xFract="0.74820735"
                           y3="8.30713"
                           yFract="0.98425711"
                           z3="6.28694"
                           zFract="0.28294059"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20957"
                           xFract="0.49876422"
                           y3="8.3073"
                           yFract="0.98427725"
                           z3="4.19096"
                           zFract="0.18861206"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24828"
                           xFract="0.50335071"
                           y3="0.01033"
                           yFract="0.00122393"
                           z3="8.45629"
                           zFract="0.38057111"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32657"
                           xFract="0.7495936"
                           y3="2.06855"
                           yFract="0.24508886"
                           z3="4.08403"
                           zFract="0.18379973"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.45505"
                           xFract="0.76481635"
                           y3="2.12901"
                           yFract="0.25225237"
                           z3="8.5900"
                           zFract="0.38658866"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41965"
                           xFract="0.99758886"
                           y3="6.48822"
                           yFract="0.76874645"
                           z3="6.33361"
                           zFract="0.28504095"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.04573"
                           xFract="0.24238507"
                           y3="4.26066"
                           yFract="0.50481754"
                           z3="6.37423"
                           zFract="0.28686904"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02993"
                           xFract="0.00354621"
                           y3="4.17814"
                           yFract="0.49504028"
                           z3="4.14846"
                           zFract="0.18669937"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05279"
                           xFract="0.00625474"
                           y3="4.18139"
                           yFract="0.49542536"
                           z3="8.69618"
                           zFract="0.39136724"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2055"
                           xFract="0.26131517"
                           y3="6.32847"
                           yFract="0.74981872"
                           z3="4.25885"
                           zFract="0.19166742"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06571"
                           xFract="0.24475237"
                           y3="6.31167"
                           yFract="0.7478282"
                           z3="8.45536"
                           zFract="0.38052925"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23512"
                           xFract="0.50179147"
                           y3="6.34799"
                           yFract="0.75213152"
                           z3="6.25974"
                           zFract="0.28171647"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.41118"
                           xFract="0.75961848"
                           y3="4.34916"
                           yFract="0.51530332"
                           z3="6.28621"
                           zFract="0.28290774"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19871"
                           xFract="0.49747749"
                           y3="4.37802"
                           yFract="0.51872275"
                           z3="4.24815"
                           zFract="0.19118587"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19058"
                           xFract="0.49651422"
                           y3="4.2147"
                           yFract="0.49937204"
                           z3="8.53861"
                           zFract="0.38427588"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1936"
                           xFract="0.73383886"
                           y3="6.36719"
                           yFract="0.7544064"
                           z3="4.21158"
                           zFract="0.18954005"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39166"
                           xFract="0.75730569"
                           y3="6.31496"
                           yFract="0.74821801"
                           z3="8.43007"
                           zFract="0.37939109"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a65" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.01621"
                           xFract="-0.00192062"
                           y3="4.17844"
                           yFract="0.49507583"
                           z3="9.6935"
                           zFract="0.43625113"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.41968"
                           xFract="0.99759242"
                           y3="6.36775"
                           yFract="0.75447275"
                           z3="8.40818"
                           zFract="0.37840594"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3288"
                           xFract="0.74985782"
                           y3="0.01222"
                           yFract="0.00144787"
                           z3="4.23197"
                           zFract="0.1904577"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="8.41999"
                           xFract="0.99762915"
                           y3="2.03919"
                           yFract="0.24161019"
                           z3="8.43744"
                           zFract="0.37972277"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33922"
                           xFract="0.75109242"
                           y3="6.33347"
                           yFract="0.75041114"
                           z3="6.3287"
                           zFract="0.28481998"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20807"
                           xFract="0.49858649"
                           y3="6.34036"
                           yFract="0.75122749"
                           z3="4.2065"
                           zFract="0.18931143"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42511"
                           xFract="0.99823578"
                           y3="0.00832"
                           yFract="0.00098578"
                           z3="6.3259"
                           zFract="0.28469397"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42336"
                           xFract="0.99802844"
                           y3="2.10384"
                           yFract="0.24927014"
                           z3="4.21357"
                           zFract="0.18962961"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.19773"
                           xFract="0.26039455"
                           y3="4.19094"
                           yFract="0.49655687"
                           z3="8.37464"
                           zFract="0.37689649"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10506"
                           xFract="0.24941469"
                           y3="4.20762"
                           yFract="0.49853318"
                           z3="4.24504"
                           zFract="0.1910459"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0908"
                           xFract="0.24772512"
                           y3="6.3406"
                           yFract="0.75125592"
                           z3="6.33262"
                           zFract="0.2849964"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09616"
                           xFract="0.24836019"
                           y3="0.00593"
                           yFract="0.00070261"
                           z3="4.20859"
                           zFract="0.18940549"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24596"
                           xFract="0.50307583"
                           y3="0.0414"
                           yFract="0.00490521"
                           z3="6.30273"
                           zFract="0.28365122"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34741"
                           xFract="0.7520628"
                           y3="2.11917"
                           yFract="0.25108649"
                           z3="6.38759"
                           zFract="0.2874703"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.23591"
                           xFract="0.7388519"
                           y3="4.19539"
                           yFract="0.49708412"
                           z3="8.66988"
                           zFract="0.39018362"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25379"
                           xFract="0.50400355"
                           y3="2.12002"
                           yFract="0.2511872"
                           z3="8.59432"
                           zFract="0.38678308"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42397"
                           xFract="0.99810071"
                           y3="6.30094"
                           yFract="0.74655687"
                           z3="4.23976"
                           zFract="0.19080828"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41659"
                           xFract="0.9972263"
                           y3="4.19432"
                           yFract="0.49695735"
                           z3="6.31097"
                           zFract="0.28402205"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21635"
                           xFract="0.49956754"
                           y3="2.11539"
                           yFract="0.25063863"
                           z3="4.17052"
                           zFract="0.18769217"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12324"
                           xFract="0.25156872"
                           y3="2.11317"
                           yFract="0.25037559"
                           z3="6.35338"
                           zFract="0.28593069"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35528"
                           xFract="0.75299526"
                           y3="4.19726"
                           yFract="0.49730569"
                           z3="4.24102"
                           zFract="0.19086499"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24576"
                           xFract="0.50305213"
                           y3="6.32339"
                           yFract="0.74921682"
                           z3="8.46641"
                           zFract="0.38102655"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28399"
                           xFract="0.50758175"
                           y3="4.16939"
                           yFract="0.49400355"
                           z3="6.4080"
                           zFract="0.28838884"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1022"
                           xFract="0.24907583"
                           y3="0.02126"
                           yFract="0.00251896"
                           z3="8.40485"
                           zFract="0.37825608"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34147"
                           xFract="0.751359"
                           y3="0.03347"
                           yFract="0.00396564"
                           z3="8.46954"
                           zFract="0.38116742"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30828"
                           xFract="0.98439336"
                           y3="1.96756"
                           yFract="0.23312322"
                           z3="6.28128"
                           zFract="0.28268587"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15517"
                           xFract="0.2553519"
                           y3="8.41534"
                           yFract="0.9970782"
                           z3="6.29287"
                           zFract="0.28320747"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43804"
                           xFract="0.99976777"
                           y3="0.00563"
                           yFract="0.00066706"
                           z3="4.26397"
                           zFract="0.19189784"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42123"
                           xFract="0.99777607"
                           y3="0.06461"
                           yFract="0.00765521"
                           z3="8.34665"
                           zFract="0.37563681"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10343"
                           xFract="0.24922156"
                           y3="2.10699"
                           yFract="0.24964336"
                           z3="4.26684"
                           zFract="0.192027"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98956"
                           xFract="0.23572986"
                           y3="2.12998"
                           yFract="0.2523673"
                           z3="8.47078"
                           zFract="0.38122322"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38096"
                           xFract="0.51907109"
                           y3="2.10593"
                           yFract="0.24951777"
                           z3="6.19267"
                           zFract="0.27869802"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31579"
                           xFract="0.74831635"
                           y3="8.30826"
                           yFract="0.984391"
                           z3="6.28817"
                           zFract="0.28299595"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20936"
                           xFract="0.49873934"
                           y3="8.30766"
                           yFract="0.98431991"
                           z3="4.19089"
                           zFract="0.18860891"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24566"
                           xFract="0.50304028"
                           y3="0.00969"
                           yFract="0.0011481"
                           z3="8.45772"
                           zFract="0.38063546"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32735"
                           xFract="0.74968602"
                           y3="2.0682"
                           yFract="0.24504739"
                           z3="4.08394"
                           zFract="0.18379568"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.46078"
                           xFract="0.76549526"
                           y3="2.12691"
                           yFract="0.25200355"
                           z3="8.59418"
                           zFract="0.38677678"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42049"
                           xFract="0.99768839"
                           y3="6.47672"
                           yFract="0.76738389"
                           z3="6.33218"
                           zFract="0.2849766"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.03689"
                           xFract="0.24133768"
                           y3="4.26219"
                           yFract="0.50499882"
                           z3="6.38065"
                           zFract="0.28715797"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03015"
                           xFract="0.00357227"
                           y3="4.1798"
                           yFract="0.49523697"
                           z3="4.13573"
                           zFract="0.18612646"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08095"
                           xFract="0.00959123"
                           y3="4.18291"
                           yFract="0.49560545"
                           z3="8.71431"
                           zFract="0.39218317"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20632"
                           xFract="0.26141232"
                           y3="6.32839"
                           yFract="0.74980924"
                           z3="4.25928"
                           zFract="0.19168677"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06123"
                           xFract="0.24422156"
                           y3="6.30509"
                           yFract="0.74704858"
                           z3="8.45976"
                           zFract="0.38072727"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23454"
                           xFract="0.50172275"
                           y3="6.34674"
                           yFract="0.75198341"
                           z3="6.26265"
                           zFract="0.28184743"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.41843"
                           xFract="0.76047749"
                           y3="4.34769"
                           yFract="0.51512915"
                           z3="6.29147"
                           zFract="0.28314446"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19856"
                           xFract="0.49745972"
                           y3="4.37767"
                           yFract="0.51868128"
                           z3="4.24959"
                           zFract="0.19125068"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17869"
                           xFract="0.49510545"
                           y3="4.21584"
                           yFract="0.49950711"
                           z3="8.54024"
                           zFract="0.38434923"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19295"
                           xFract="0.73376185"
                           y3="6.36701"
                           yFract="0.75438507"
                           z3="4.21205"
                           zFract="0.18956121"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39579"
                           xFract="0.75779502"
                           y3="6.31654"
                           yFract="0.74840521"
                           z3="8.43326"
                           zFract="0.37953465"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a65" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.01747"
                           xFract="-0.00206991"
                           y3="4.17848"
                           yFract="0.49508057"
                           z3="9.70353"
                           zFract="0.43670252"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.42112"
                           xFract="0.99776303"
                           y3="6.37496"
                           yFract="0.75532701"
                           z3="8.40865"
                           zFract="0.37842709"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32938"
                           xFract="0.74992654"
                           y3="0.01228"
                           yFract="0.00145498"
                           z3="4.23162"
                           zFract="0.19044194"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="8.42205"
                           xFract="0.99787322"
                           y3="2.03795"
                           yFract="0.24146327"
                           z3="8.43807"
                           zFract="0.37975113"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33946"
                           xFract="0.75112085"
                           y3="6.33322"
                           yFract="0.75038152"
                           z3="6.32876"
                           zFract="0.28482268"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20809"
                           xFract="0.49858886"
                           y3="6.34003"
                           yFract="0.75118839"
                           z3="4.20657"
                           zFract="0.18931458"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42547"
                           xFract="0.99827844"
                           y3="0.00828"
                           yFract="0.00098104"
                           z3="6.32403"
                           zFract="0.28460981"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42332"
                           xFract="0.9980237"
                           y3="2.10294"
                           yFract="0.24916351"
                           z3="4.21222"
                           zFract="0.18956886"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.19702"
                           xFract="0.26031043"
                           y3="4.1907"
                           yFract="0.49652844"
                           z3="8.37373"
                           zFract="0.37685554"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10552"
                           xFract="0.24946919"
                           y3="4.20778"
                           yFract="0.49855213"
                           z3="4.24424"
                           zFract="0.1910099"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.09056"
                           xFract="0.24769668"
                           y3="6.3409"
                           yFract="0.75129147"
                           z3="6.33321"
                           zFract="0.28502295"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09577"
                           xFract="0.24831398"
                           y3="0.00602"
                           yFract="0.00071327"
                           z3="4.20833"
                           zFract="0.18939379"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2460"
                           xFract="0.50308057"
                           y3="0.04142"
                           yFract="0.00490758"
                           z3="6.30301"
                           zFract="0.28366382"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34714"
                           xFract="0.75203081"
                           y3="2.11906"
                           yFract="0.25107346"
                           z3="6.38763"
                           zFract="0.2874721"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.22756"
                           xFract="0.73786256"
                           y3="4.19422"
                           yFract="0.4969455"
                           z3="8.66628"
                           zFract="0.3900216"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25429"
                           xFract="0.5040628"
                           y3="2.11867"
                           yFract="0.25102725"
                           z3="8.59469"
                           zFract="0.38679973"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42392"
                           xFract="0.99809479"
                           y3="6.30214"
                           yFract="0.74669905"
                           z3="4.23907"
                           zFract="0.19077723"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4167"
                           xFract="0.99723934"
                           y3="4.1955"
                           yFract="0.49709716"
                           z3="6.30425"
                           zFract="0.28371962"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21643"
                           xFract="0.49957701"
                           y3="2.1154"
                           yFract="0.25063981"
                           z3="4.17045"
                           zFract="0.18768902"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12321"
                           xFract="0.25156517"
                           y3="2.11268"
                           yFract="0.25031754"
                           z3="6.35388"
                           zFract="0.2859532"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35469"
                           xFract="0.75292536"
                           y3="4.19734"
                           yFract="0.49731517"
                           z3="4.24045"
                           zFract="0.19083933"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24566"
                           xFract="0.50304028"
                           y3="6.32626"
                           yFract="0.74955687"
                           z3="8.46626"
                           zFract="0.3810198"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28523"
                           xFract="0.50772867"
                           y3="4.16929"
                           yFract="0.49399171"
                           z3="6.40475"
                           zFract="0.28824257"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10542"
                           xFract="0.24945735"
                           y3="0.0214"
                           yFract="0.00253555"
                           z3="8.40508"
                           zFract="0.37826643"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33802"
                           xFract="0.75095024"
                           y3="0.03327"
                           yFract="0.00394194"
                           z3="8.46974"
                           zFract="0.38117642"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30875"
                           xFract="0.98444905"
                           y3="1.97327"
                           yFract="0.23379976"
                           z3="6.28109"
                           zFract="0.28267732"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15426"
                           xFract="0.25524408"
                           y3="8.41496"
                           yFract="0.99703318"
                           z3="6.29308"
                           zFract="0.28321692"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43815"
                           xFract="0.99978081"
                           y3="0.00555"
                           yFract="0.00065758"
                           z3="4.26188"
                           zFract="0.19180378"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42248"
                           xFract="0.99792417"
                           y3="0.06118"
                           yFract="0.00724882"
                           z3="8.34989"
                           zFract="0.37578263"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10266"
                           xFract="0.24913033"
                           y3="2.10724"
                           yFract="0.24967299"
                           z3="4.26664"
                           zFract="0.192018"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9889"
                           xFract="0.23565166"
                           y3="2.12631"
                           yFract="0.25193246"
                           z3="8.47091"
                           zFract="0.38122907"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38064"
                           xFract="0.51903318"
                           y3="2.10684"
                           yFract="0.24962559"
                           z3="6.19369"
                           zFract="0.27874392"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31668"
                           xFract="0.7484218"
                           y3="8.30932"
                           yFract="0.98451659"
                           z3="6.28872"
                           zFract="0.2830207"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20919"
                           xFract="0.49871919"
                           y3="8.30812"
                           yFract="0.98437441"
                           z3="4.19115"
                           zFract="0.18862061"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24479"
                           xFract="0.5029372"
                           y3="0.00926"
                           yFract="0.00109716"
                           z3="8.45794"
                           zFract="0.38064536"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32805"
                           xFract="0.74976896"
                           y3="2.06849"
                           yFract="0.24508175"
                           z3="4.08377"
                           zFract="0.18378803"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.46277"
                           xFract="0.76573104"
                           y3="2.12454"
                           yFract="0.25172275"
                           z3="8.5961"
                           zFract="0.38686319"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42057"
                           xFract="0.99769787"
                           y3="6.47183"
                           yFract="0.7668045"
                           z3="6.33192"
                           zFract="0.2849649"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.03334"
                           xFract="0.24091706"
                           y3="4.26253"
                           yFract="0.5050391"
                           z3="6.37721"
                           zFract="0.28700315"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0306"
                           xFract="0.00362559"
                           y3="4.1797"
                           yFract="0.49522512"
                           z3="4.13085"
                           zFract="0.18590684"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08759"
                           xFract="0.01037796"
                           y3="4.18208"
                           yFract="0.49550711"
                           z3="8.72999"
                           zFract="0.39288884"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20656"
                           xFract="0.26144076"
                           y3="6.32827"
                           yFract="0.74979502"
                           z3="4.25941"
                           zFract="0.19169262"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06091"
                           xFract="0.24418365"
                           y3="6.30688"
                           yFract="0.74726066"
                           z3="8.45943"
                           zFract="0.38071242"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23434"
                           xFract="0.50169905"
                           y3="6.34553"
                           yFract="0.75184005"
                           z3="6.26404"
                           zFract="0.28190999"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42036"
                           xFract="0.76070616"
                           y3="4.34708"
                           yFract="0.51505687"
                           z3="6.29232"
                           zFract="0.28318272"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19855"
                           xFract="0.49745853"
                           y3="4.37745"
                           yFract="0.51865521"
                           z3="4.25077"
                           zFract="0.19130378"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17731"
                           xFract="0.49494194"
                           y3="4.21648"
                           yFract="0.49958294"
                           z3="8.54026"
                           zFract="0.38435014"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19276"
                           xFract="0.73373934"
                           y3="6.36665"
                           yFract="0.75434242"
                           z3="4.21214"
                           zFract="0.18956526"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39678"
                           xFract="0.75791232"
                           y3="6.31784"
                           yFract="0.74855924"
                           z3="8.43382"
                           zFract="0.37955986"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a65" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02125"
                           xFract="-0.00251777"
                           y3="4.1786"
                           yFract="0.49509479"
                           z3="9.73363"
                           zFract="0.43805716"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.42544"
                           xFract="0.99827488"
                           y3="6.3966"
                           yFract="0.757891"
                           z3="8.41008"
                           zFract="0.37849145"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3311"
                           xFract="0.75013033"
                           y3="0.01244"
                           yFract="0.00147393"
                           z3="4.23056"
                           zFract="0.19039424"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="8.42824"
                           xFract="0.99860664"
                           y3="2.03424"
                           yFract="0.2410237"
                           z3="8.43998"
                           zFract="0.37983708"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34017"
                           xFract="0.75120498"
                           y3="6.33244"
                           yFract="0.7502891"
                           z3="6.32891"
                           zFract="0.28482943"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20816"
                           xFract="0.49859716"
                           y3="6.33904"
                           yFract="0.75107109"
                           z3="4.20679"
                           zFract="0.18932448"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42654"
                           xFract="0.99840521"
                           y3="0.00817"
                           yFract="0.00096801"
                           z3="6.31843"
                           zFract="0.28435779"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42322"
                           xFract="0.99801185"
                           y3="2.10021"
                           yFract="0.24884005"
                           z3="4.2082"
                           zFract="0.18938794"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.19487"
                           xFract="0.26005569"
                           y3="4.18997"
                           yFract="0.49644194"
                           z3="8.37101"
                           zFract="0.37673312"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10688"
                           xFract="0.24963033"
                           y3="4.20825"
                           yFract="0.49860782"
                           z3="4.24184"
                           zFract="0.19090189"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08983"
                           xFract="0.24761019"
                           y3="6.34179"
                           yFract="0.75139692"
                           z3="6.33498"
                           zFract="0.28510261"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0946"
                           xFract="0.24817536"
                           y3="0.00629"
                           yFract="0.00074526"
                           z3="4.20757"
                           zFract="0.18935959"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24612"
                           xFract="0.50309479"
                           y3="0.04151"
                           yFract="0.00491825"
                           z3="6.30386"
                           zFract="0.28370207"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34633"
                           xFract="0.75193483"
                           y3="2.11872"
                           yFract="0.25103318"
                           z3="6.38774"
                           zFract="0.28747705"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.20251"
                           xFract="0.73489455"
                           y3="4.19073"
                           yFract="0.49653199"
                           z3="8.65549"
                           zFract="0.389536"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2558"
                           xFract="0.50424171"
                           y3="2.11463"
                           yFract="0.25054858"
                           z3="8.59578"
                           zFract="0.38684878"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42377"
                           xFract="0.99807701"
                           y3="6.30572"
                           yFract="0.74712322"
                           z3="4.23699"
                           zFract="0.19068362"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41702"
                           xFract="0.99727725"
                           y3="4.19903"
                           yFract="0.4975154"
                           z3="6.2841"
                           zFract="0.28281278"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21667"
                           xFract="0.49960545"
                           y3="2.11544"
                           yFract="0.25064455"
                           z3="4.17025"
                           zFract="0.18768002"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12309"
                           xFract="0.25155095"
                           y3="2.1112"
                           yFract="0.25014218"
                           z3="6.35537"
                           zFract="0.28602025"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35293"
                           xFract="0.75271682"
                           y3="4.19758"
                           yFract="0.4973436"
                           z3="4.23872"
                           zFract="0.19076148"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24536"
                           xFract="0.50300474"
                           y3="6.33486"
                           yFract="0.75057583"
                           z3="8.46582"
                           zFract="0.3810"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28898"
                           xFract="0.50817299"
                           y3="4.16899"
                           yFract="0.49395616"
                           z3="6.39499"
                           zFract="0.28780333"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11508"
                           xFract="0.2506019"
                           y3="0.02182"
                           yFract="0.00258531"
                           z3="8.40577"
                           zFract="0.37829748"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32768"
                           xFract="0.74972512"
                           y3="0.03267"
                           yFract="0.00387085"
                           z3="8.47033"
                           zFract="0.38120297"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31016"
                           xFract="0.98461611"
                           y3="1.99038"
                           yFract="0.23582701"
                           z3="6.28051"
                           zFract="0.28265122"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15155"
                           xFract="0.25492299"
                           y3="8.41382"
                           yFract="0.9968981"
                           z3="6.2937"
                           zFract="0.28324482"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43848"
                           xFract="0.99981991"
                           y3="0.00533"
                           yFract="0.00063152"
                           z3="4.25562"
                           zFract="0.19152205"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42621"
                           xFract="0.99836611"
                           y3="0.05089"
                           yFract="0.00602962"
                           z3="8.35963"
                           zFract="0.37622097"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10036"
                           xFract="0.24885782"
                           y3="2.1080"
                           yFract="0.24976303"
                           z3="4.26602"
                           zFract="0.1919901"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98695"
                           xFract="0.23542062"
                           y3="2.11527"
                           yFract="0.25062441"
                           z3="8.4713"
                           zFract="0.38124662"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37968"
                           xFract="0.51891943"
                           y3="2.10957"
                           yFract="0.24994905"
                           z3="6.19674"
                           zFract="0.27888119"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31938"
                           xFract="0.74874171"
                           y3="8.3125"
                           yFract="0.98489336"
                           z3="6.29037"
                           zFract="0.28309496"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20868"
                           xFract="0.49865877"
                           y3="8.30952"
                           yFract="0.98454028"
                           z3="4.19193"
                           zFract="0.18865572"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24217"
                           xFract="0.50262678"
                           y3="0.00797"
                           yFract="0.00094431"
                           z3="8.45861"
                           zFract="0.38067552"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33017"
                           xFract="0.75002014"
                           y3="2.06937"
                           yFract="0.24518602"
                           z3="4.08327"
                           zFract="0.18376553"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.46874"
                           xFract="0.76643839"
                           y3="2.11743"
                           yFract="0.25088033"
                           z3="8.60186"
                           zFract="0.38712241"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42081"
                           xFract="0.9977263"
                           y3="6.45715"
                           yFract="0.76506517"
                           z3="6.33114"
                           zFract="0.28492979"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.02268"
                           xFract="0.23965403"
                           y3="4.26353"
                           yFract="0.50515758"
                           z3="6.36687"
                           zFract="0.2865378"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03197"
                           xFract="0.00378791"
                           y3="4.17941"
                           yFract="0.49519076"
                           z3="4.11622"
                           zFract="0.18524842"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.1075"
                           xFract="0.01273697"
                           y3="4.17958"
                           yFract="0.4952109"
                           z3="8.77701"
                           zFract="0.39500495"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2073"
                           xFract="0.26152844"
                           y3="6.32791"
                           yFract="0.74975237"
                           z3="4.25982"
                           zFract="0.19171107"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05994"
                           xFract="0.24406872"
                           y3="6.31223"
                           yFract="0.74789455"
                           z3="8.45842"
                           zFract="0.38066697"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23374"
                           xFract="0.50162796"
                           y3="6.34191"
                           yFract="0.75141114"
                           z3="6.26822"
                           zFract="0.28209811"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42617"
                           xFract="0.76139455"
                           y3="4.34525"
                           yFract="0.51484005"
                           z3="6.29488"
                           zFract="0.28329793"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19852"
                           xFract="0.49745498"
                           y3="4.37678"
                           yFract="0.51857583"
                           z3="4.25433"
                           zFract="0.191464"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17318"
                           xFract="0.49445261"
                           y3="4.21842"
                           yFract="0.4998128"
                           z3="8.54032"
                           zFract="0.38435284"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19219"
                           xFract="0.7336718"
                           y3="6.36555"
                           yFract="0.75421209"
                           z3="4.2124"
                           zFract="0.18957696"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39976"
                           xFract="0.7582654"
                           y3="6.32174"
                           yFract="0.74902133"
                           z3="8.4355"
                           zFract="0.37963546"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02881"
                           xFract="-0.00341351"
                           y3="4.17884"
                           yFract="0.49512322"
                           z3="9.79382"
                           zFract="0.44076598"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.43409"
                           xFract="0.99929976"
                           y3="6.43987"
                           yFract="0.76301777"
                           z3="8.41292"
                           zFract="0.37861926"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33455"
                           xFract="0.7505391"
                           y3="0.01278"
                           yFract="0.00151422"
                           z3="4.22844"
                           zFract="0.19029883"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00061"
                           xFract="0.00007227"
                           y3="2.02682"
                           yFract="0.24014455"
                           z3="8.4438"
                           zFract="0.380009"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34158"
                           xFract="0.75137204"
                           y3="6.3309"
                           yFract="0.75010664"
                           z3="6.32923"
                           zFract="0.28484383"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20829"
                           xFract="0.49861256"
                           y3="6.33707"
                           yFract="0.75083768"
                           z3="4.20721"
                           zFract="0.18934338"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42869"
                           xFract="0.99865995"
                           y3="0.00795"
                           yFract="0.00094194"
                           z3="6.30724"
                           zFract="0.28385419"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42301"
                           xFract="0.99798697"
                           y3="2.09477"
                           yFract="0.2481955"
                           z3="4.20014"
                           zFract="0.1890252"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.19058"
                           xFract="0.25954739"
                           y3="4.18851"
                           yFract="0.49626896"
                           z3="8.36557"
                           zFract="0.3764883"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10961"
                           xFract="0.24995379"
                           y3="4.20921"
                           yFract="0.49872156"
                           z3="4.23704"
                           zFract="0.19068587"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08837"
                           xFract="0.2474372"
                           y3="6.34358"
                           yFract="0.751609"
                           z3="6.33851"
                           zFract="0.28526148"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09225"
                           xFract="0.24789692"
                           y3="0.00684"
                           yFract="0.00081043"
                           z3="4.20604"
                           zFract="0.18929073"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24635"
                           xFract="0.50312204"
                           y3="0.04167"
                           yFract="0.0049372"
                           z3="6.30556"
                           zFract="0.28377858"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3447"
                           xFract="0.75174171"
                           y3="2.11805"
                           yFract="0.25095379"
                           z3="6.38795"
                           zFract="0.2874865"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.15243"
                           xFract="0.7289609"
                           y3="4.18374"
                           yFract="0.49570379"
                           z3="8.6339"
                           zFract="0.38856436"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25883"
                           xFract="0.50460071"
                           y3="2.10655"
                           yFract="0.24959123"
                           z3="8.59796"
                           zFract="0.38694689"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42348"
                           xFract="0.99804265"
                           y3="6.31289"
                           yFract="0.74797275"
                           z3="4.23282"
                           zFract="0.19049595"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41766"
                           xFract="0.99735308"
                           y3="4.20609"
                           yFract="0.4983519"
                           z3="6.24381"
                           zFract="0.28099955"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21714"
                           xFract="0.49966114"
                           y3="2.11551"
                           yFract="0.25065284"
                           z3="4.16984"
                           zFract="0.18766157"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12286"
                           xFract="0.2515237"
                           y3="2.10825"
                           yFract="0.24979265"
                           z3="6.35836"
                           zFract="0.28615482"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3494"
                           xFract="0.75229858"
                           y3="4.19807"
                           yFract="0.49740166"
                           z3="4.23526"
                           zFract="0.19060576"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24478"
                           xFract="0.50293602"
                           y3="6.35207"
                           yFract="0.75261493"
                           z3="8.46492"
                           zFract="0.3809595"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29648"
                           xFract="0.50906161"
                           y3="4.1684"
                           yFract="0.49388626"
                           z3="6.37546"
                           zFract="0.28692439"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13441"
                           xFract="0.25289218"
                           y3="0.02265"
                           yFract="0.00268365"
                           z3="8.40714"
                           zFract="0.37835914"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30699"
                           xFract="0.7472737"
                           y3="0.03146"
                           yFract="0.00372749"
                           z3="8.47151"
                           zFract="0.38125608"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31298"
                           xFract="0.98495024"
                           y3="2.02462"
                           yFract="0.23988389"
                           z3="6.27934"
                           zFract="0.28259856"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14612"
                           xFract="0.25427962"
                           y3="8.41155"
                           yFract="0.99662915"
                           z3="6.29494"
                           zFract="0.28330063"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43915"
                           xFract="0.99989929"
                           y3="0.00489"
                           yFract="0.00057938"
                           z3="4.24308"
                           zFract="0.1909577"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43369"
                           xFract="0.99925237"
                           y3="0.0303"
                           yFract="0.00359005"
                           z3="8.37912"
                           zFract="0.37709811"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09575"
                           xFract="0.24831161"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="4.2648"
                           zFract="0.19193519"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98303"
                           xFract="0.23495616"
                           y3="2.0932"
                           yFract="0.24800948"
                           z3="8.47207"
                           zFract="0.38128128"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37778"
                           xFract="0.51869431"
                           y3="2.11502"
                           yFract="0.25059479"
                           z3="6.20284"
                           zFract="0.27915572"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32476"
                           xFract="0.74937915"
                           y3="8.31886"
                           yFract="0.98564692"
                           z3="6.29367"
                           zFract="0.28324347"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20764"
                           xFract="0.49853555"
                           y3="8.31232"
                           yFract="0.98487204"
                           z3="4.19349"
                           zFract="0.18872592"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23693"
                           xFract="0.50200592"
                           y3="0.00538"
                           yFract="0.00063744"
                           z3="8.45994"
                           zFract="0.38073537"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3344"
                           xFract="0.75052133"
                           y3="2.07113"
                           yFract="0.24539455"
                           z3="4.08227"
                           zFract="0.18372052"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.48067"
                           xFract="0.7678519"
                           y3="2.10322"
                           yFract="0.24919668"
                           z3="8.6134"
                           zFract="0.38764176"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4213"
                           xFract="0.99778436"
                           y3="6.42781"
                           yFract="0.76158886"
                           z3="6.32958"
                           zFract="0.28485959"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.00138"
                           xFract="0.23713033"
                           y3="4.26555"
                           yFract="0.50539692"
                           z3="6.3462"
                           zFract="0.28560756"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03469"
                           xFract="0.00411019"
                           y3="4.17882"
                           yFract="0.49512085"
                           z3="4.08694"
                           zFract="0.18393069"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14733"
                           xFract="0.01745616"
                           y3="4.17458"
                           yFract="0.49461848"
                           z3="8.87104"
                           zFract="0.39923672"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20877"
                           xFract="0.26170261"
                           y3="6.3272"
                           yFract="0.74966825"
                           z3="4.26064"
                           zFract="0.19174797"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05801"
                           xFract="0.24384005"
                           y3="6.32294"
                           yFract="0.74916351"
                           z3="8.45641"
                           zFract="0.38057651"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23254"
                           xFract="0.50148578"
                           y3="6.33468"
                           yFract="0.7505545"
                           z3="6.27659"
                           zFract="0.2824748"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43778"
                           xFract="0.76277014"
                           y3="4.34158"
                           yFract="0.51440521"
                           z3="6.3000"
                           zFract="0.28352835"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19847"
                           xFract="0.49744905"
                           y3="4.37543"
                           yFract="0.51841588"
                           z3="4.26145"
                           zFract="0.19178443"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1649"
                           xFract="0.49347156"
                           y3="4.22228"
                           yFract="0.50027014"
                           z3="8.54042"
                           zFract="0.38435734"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19104"
                           xFract="0.73353555"
                           y3="6.36336"
                           yFract="0.75395261"
                           z3="4.21293"
                           zFract="0.18960081"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40572"
                           xFract="0.75897156"
                           y3="6.32952"
                           yFract="0.74994313"
                           z3="8.43887"
                           zFract="0.37978713"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02525"
                           xFract="-0.00299171"
                           y3="4.17873"
                           yFract="0.49511019"
                           z3="9.7655"
                           zFract="0.43949145"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.43002"
                           xFract="0.99881754"
                           y3="6.41951"
                           yFract="0.76060545"
                           z3="8.41158"
                           zFract="0.37855896"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33293"
                           xFract="0.75034716"
                           y3="0.01262"
                           yFract="0.00149526"
                           z3="4.22944"
                           zFract="0.19034383"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00521"
                           xFract="-0.0006173"
                           y3="2.03031"
                           yFract="0.24055806"
                           z3="8.4420"
                           zFract="0.37992799"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34092"
                           xFract="0.75129384"
                           y3="6.33162"
                           yFract="0.75019194"
                           z3="6.32908"
                           zFract="0.28483708"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20823"
                           xFract="0.49860545"
                           y3="6.3380"
                           yFract="0.75094787"
                           z3="4.20701"
                           zFract="0.18933438"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42768"
                           xFract="0.99854028"
                           y3="0.00806"
                           yFract="0.00095498"
                           z3="6.31251"
                           zFract="0.28409136"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42311"
                           xFract="0.99799882"
                           y3="2.09733"
                           yFract="0.24849882"
                           z3="4.20393"
                           zFract="0.18919577"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1926"
                           xFract="0.25978673"
                           y3="4.18919"
                           yFract="0.49634953"
                           z3="8.36813"
                           zFract="0.37660351"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10832"
                           xFract="0.24980095"
                           y3="4.20876"
                           yFract="0.49866825"
                           z3="4.23929"
                           zFract="0.19078713"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08906"
                           xFract="0.24751896"
                           y3="6.34274"
                           yFract="0.75150948"
                           z3="6.33685"
                           zFract="0.28518677"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09335"
                           xFract="0.24802725"
                           y3="0.00658"
                           yFract="0.00077962"
                           z3="4.20676"
                           zFract="0.18932313"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24624"
                           xFract="0.503109"
                           y3="0.04159"
                           yFract="0.00492773"
                           z3="6.30476"
                           zFract="0.28374257"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34547"
                           xFract="0.75183294"
                           y3="2.11837"
                           yFract="0.25099171"
                           z3="6.38785"
                           zFract="0.287482"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.1760"
                           xFract="0.73175355"
                           y3="4.18703"
                           yFract="0.4960936"
                           z3="8.64406"
                           zFract="0.3890216"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2574"
                           xFract="0.50443128"
                           y3="2.11036"
                           yFract="0.25004265"
                           z3="8.59693"
                           zFract="0.38690054"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42362"
                           xFract="0.99805924"
                           y3="6.30952"
                           yFract="0.74757346"
                           z3="4.23478"
                           zFract="0.19058416"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41736"
                           xFract="0.99731754"
                           y3="4.20277"
                           yFract="0.49795853"
                           z3="6.26277"
                           zFract="0.28185284"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21692"
                           xFract="0.49963507"
                           y3="2.11548"
                           yFract="0.25064929"
                           z3="4.17003"
                           zFract="0.18767012"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12297"
                           xFract="0.25153673"
                           y3="2.10964"
                           yFract="0.24995735"
                           z3="6.35695"
                           zFract="0.28609136"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35106"
                           xFract="0.75249526"
                           y3="4.19784"
                           yFract="0.49737441"
                           z3="4.23689"
                           zFract="0.19067912"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24505"
                           xFract="0.50296801"
                           y3="6.34397"
                           yFract="0.75165521"
                           z3="8.46534"
                           zFract="0.3809784"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29295"
                           xFract="0.50864336"
                           y3="4.16868"
                           yFract="0.49391943"
                           z3="6.38465"
                           zFract="0.28733798"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12531"
                           xFract="0.25181398"
                           y3="0.02226"
                           yFract="0.00263744"
                           z3="8.4065"
                           zFract="0.37833033"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31672"
                           xFract="0.74842654"
                           y3="0.03203"
                           yFract="0.00379502"
                           z3="8.47096"
                           zFract="0.38123132"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31165"
                           xFract="0.98479265"
                           y3="2.00851"
                           yFract="0.23797512"
                           z3="6.27989"
                           zFract="0.28262331"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14868"
                           xFract="0.25458294"
                           y3="8.41262"
                           yFract="0.99675592"
                           z3="6.29435"
                           zFract="0.28327408"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43883"
                           xFract="0.99986137"
                           y3="0.0051"
                           yFract="0.00060427"
                           z3="4.24898"
                           zFract="0.19122322"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43017"
                           xFract="0.99883531"
                           y3="0.03999"
                           yFract="0.00473815"
                           z3="8.36995"
                           zFract="0.37668542"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09792"
                           xFract="0.24856872"
                           y3="2.1088"
                           yFract="0.24985782"
                           z3="4.26538"
                           zFract="0.1919613"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98487"
                           xFract="0.23517417"
                           y3="2.10359"
                           yFract="0.24924052"
                           z3="8.47171"
                           zFract="0.38126508"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37867"
                           xFract="0.51879976"
                           y3="2.11246"
                           yFract="0.25029147"
                           z3="6.19997"
                           zFract="0.27902655"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32223"
                           xFract="0.74907938"
                           y3="8.31587"
                           yFract="0.98529265"
                           z3="6.29212"
                           zFract="0.28317372"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20813"
                           xFract="0.4985936"
                           y3="8.31101"
                           yFract="0.98471682"
                           z3="4.19276"
                           zFract="0.18869307"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2394"
                           xFract="0.50229858"
                           y3="0.0066"
                           yFract="0.00078199"
                           z3="8.45931"
                           zFract="0.38070702"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33241"
                           xFract="0.75028555"
                           y3="2.0703"
                           yFract="0.24529621"
                           z3="4.08274"
                           zFract="0.18374167"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.47505"
                           xFract="0.76718602"
                           y3="2.10991"
                           yFract="0.24998934"
                           z3="8.60797"
                           zFract="0.38739739"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42107"
                           xFract="0.99775711"
                           y3="6.44162"
                           yFract="0.76322512"
                           z3="6.33031"
                           zFract="0.28489244"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0114"
                           xFract="0.23831754"
                           y3="4.2646"
                           yFract="0.50528436"
                           z3="6.35593"
                           zFract="0.28604545"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03341"
                           xFract="0.00395853"
                           y3="4.1791"
                           yFract="0.49515403"
                           z3="4.10072"
                           zFract="0.18455086"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.12859"
                           xFract="0.01523578"
                           y3="4.17693"
                           yFract="0.49489692"
                           z3="8.82679"
                           zFract="0.39724527"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20808"
                           xFract="0.26162085"
                           y3="6.32754"
                           yFract="0.74970853"
                           z3="4.26025"
                           zFract="0.19173042"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05892"
                           xFract="0.24394787"
                           y3="6.3179"
                           yFract="0.74856635"
                           z3="8.45736"
                           zFract="0.38061926"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2331"
                           xFract="0.50155213"
                           y3="6.33808"
                           yFract="0.75095735"
                           z3="6.27265"
                           zFract="0.28229748"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43232"
                           xFract="0.76212322"
                           y3="4.34331"
                           yFract="0.51461019"
                           z3="6.29759"
                           zFract="0.28341989"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1985"
                           xFract="0.49745261"
                           y3="4.37606"
                           yFract="0.51849052"
                           z3="4.2581"
                           zFract="0.19163366"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1688"
                           xFract="0.49393365"
                           y3="4.22046"
                           yFract="0.5000545"
                           z3="8.54037"
                           zFract="0.38435509"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19158"
                           xFract="0.73359953"
                           y3="6.36439"
                           yFract="0.75407464"
                           z3="4.21268"
                           zFract="0.18958956"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40291"
                           xFract="0.75863863"
                           y3="6.32586"
                           yFract="0.74950948"
                           z3="8.43728"
                           zFract="0.37971557"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02803"
                           xFract="-0.00332109"
                           y3="4.17888"
                           yFract="0.49512796"
                           z3="9.78734"
                           zFract="0.44047435"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.43206"
                           xFract="0.99905924"
                           y3="6.42442"
                           yFract="0.7611872"
                           z3="8.41372"
                           zFract="0.37865527"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33342"
                           xFract="0.75040521"
                           y3="0.01261"
                           yFract="0.00149408"
                           z3="4.22914"
                           zFract="0.19033033"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00303"
                           xFract="-0.000359"
                           y3="2.03277"
                           yFract="0.24084953"
                           z3="8.44385"
                           zFract="0.38001125"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34138"
                           xFract="0.75134834"
                           y3="6.33146"
                           yFract="0.75017299"
                           z3="6.32982"
                           zFract="0.28487039"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20804"
                           xFract="0.49858294"
                           y3="6.33816"
                           yFract="0.75096682"
                           z3="4.20742"
                           zFract="0.18935284"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42819"
                           xFract="0.99860071"
                           y3="0.00823"
                           yFract="0.00097512"
                           z3="6.31163"
                           zFract="0.28405176"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4232"
                           xFract="0.99800948"
                           y3="2.09634"
                           yFract="0.24838152"
                           z3="4.20209"
                           zFract="0.18911296"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.18698"
                           xFract="0.25912085"
                           y3="4.18875"
                           yFract="0.49629739"
                           z3="8.36913"
                           zFract="0.37664851"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10876"
                           xFract="0.24985308"
                           y3="4.2089"
                           yFract="0.49868483"
                           z3="4.23797"
                           zFract="0.19072772"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08873"
                           xFract="0.24747986"
                           y3="6.34296"
                           yFract="0.75153555"
                           z3="6.33773"
                           zFract="0.28522637"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09314"
                           xFract="0.24800237"
                           y3="0.00664"
                           yFract="0.00078673"
                           z3="4.20654"
                           zFract="0.18931323"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24625"
                           xFract="0.50311019"
                           y3="0.04166"
                           yFract="0.00493602"
                           z3="6.30469"
                           zFract="0.28373942"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34548"
                           xFract="0.75183412"
                           y3="2.11825"
                           yFract="0.25097749"
                           z3="6.38826"
                           zFract="0.28750045"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.16959"
                           xFract="0.73099408"
                           y3="4.18477"
                           yFract="0.49582583"
                           z3="8.6400"
                           zFract="0.38883888"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25789"
                           xFract="0.50448934"
                           y3="2.10875"
                           yFract="0.2498519"
                           z3="8.59751"
                           zFract="0.38692664"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42368"
                           xFract="0.99806635"
                           y3="6.31086"
                           yFract="0.74773223"
                           z3="4.23363"
                           zFract="0.1905324"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41792"
                           xFract="0.99738389"
                           y3="4.20468"
                           yFract="0.49818483"
                           z3="6.25796"
                           zFract="0.28163636"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2169"
                           xFract="0.4996327"
                           y3="2.11528"
                           yFract="0.25062559"
                           z3="4.17016"
                           zFract="0.18767597"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12289"
                           xFract="0.25152725"
                           y3="2.10894"
                           yFract="0.24987441"
                           z3="6.35763"
                           zFract="0.28612196"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35049"
                           xFract="0.75242773"
                           y3="4.19787"
                           yFract="0.49737796"
                           z3="4.23598"
                           zFract="0.19063816"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24451"
                           xFract="0.50290403"
                           y3="6.34719"
                           yFract="0.75203673"
                           z3="8.46533"
                           zFract="0.38097795"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29421"
                           xFract="0.50879265"
                           y3="4.16887"
                           yFract="0.49394194"
                           z3="6.38088"
                           zFract="0.28716832"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12917"
                           xFract="0.25227133"
                           y3="0.02217"
                           yFract="0.00262678"
                           z3="8.40731"
                           zFract="0.37836679"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31333"
                           xFract="0.74802488"
                           y3="0.03205"
                           yFract="0.00379739"
                           z3="8.47154"
                           zFract="0.38125743"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31222"
                           xFract="0.98486019"
                           y3="2.01532"
                           yFract="0.23878199"
                           z3="6.28048"
                           zFract="0.28264986"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14752"
                           xFract="0.2544455"
                           y3="8.41227"
                           yFract="0.99671445"
                           z3="6.29365"
                           zFract="0.28324257"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43893"
                           xFract="0.99987322"
                           y3="0.00531"
                           yFract="0.00062915"
                           z3="4.24623"
                           zFract="0.19109946"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43146"
                           xFract="0.99898815"
                           y3="0.03599"
                           yFract="0.00426422"
                           z3="8.37306"
                           zFract="0.37682538"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09695"
                           xFract="0.24845379"
                           y3="2.10892"
                           yFract="0.24987204"
                           z3="4.26522"
                           zFract="0.1919541"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98517"
                           xFract="0.23520972"
                           y3="2.09858"
                           yFract="0.24864692"
                           z3="8.47075"
                           zFract="0.38122187"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37812"
                           xFract="0.5187346"
                           y3="2.11323"
                           yFract="0.2503827"
                           z3="6.20124"
                           zFract="0.27908371"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32339"
                           xFract="0.74921682"
                           y3="8.31731"
                           yFract="0.98546327"
                           z3="6.29245"
                           zFract="0.28318857"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20806"
                           xFract="0.49858531"
                           y3="8.31155"
                           yFract="0.98478081"
                           z3="4.19326"
                           zFract="0.18871557"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23852"
                           xFract="0.50219431"
                           y3="0.00626"
                           yFract="0.00074171"
                           z3="8.45942"
                           zFract="0.38071197"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33343"
                           xFract="0.7504064"
                           y3="2.07074"
                           yFract="0.24534834"
                           z3="4.08252"
                           zFract="0.18373177"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.47771"
                           xFract="0.76750118"
                           y3="2.10709"
                           yFract="0.24965521"
                           z3="8.61026"
                           zFract="0.38750045"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42093"
                           xFract="0.99774052"
                           y3="6.43566"
                           yFract="0.76251896"
                           z3="6.33004"
                           zFract="0.28488029"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.00738"
                           xFract="0.23784123"
                           y3="4.26465"
                           yFract="0.50529028"
                           z3="6.35173"
                           zFract="0.28585644"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0336"
                           xFract="0.00398104"
                           y3="4.17891"
                           yFract="0.49513152"
                           z3="4.09604"
                           zFract="0.18434023"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.13675"
                           xFract="0.01620261"
                           y3="4.17556"
                           yFract="0.4947346"
                           z3="8.83508"
                           zFract="0.39761836"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20845"
                           xFract="0.26166469"
                           y3="6.32758"
                           yFract="0.74971327"
                           z3="4.26021"
                           zFract="0.19172862"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05949"
                           xFract="0.2440154"
                           y3="6.32127"
                           yFract="0.74896564"
                           z3="8.45597"
                           zFract="0.38055671"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23287"
                           xFract="0.50152488"
                           y3="6.33667"
                           yFract="0.75079028"
                           z3="6.27424"
                           zFract="0.28236904"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4345"
                           xFract="0.76238152"
                           y3="4.34242"
                           yFract="0.51450474"
                           z3="6.2980"
                           zFract="0.28343834"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19862"
                           xFract="0.49746682"
                           y3="4.37556"
                           yFract="0.51843128"
                           z3="4.25926"
                           zFract="0.19168587"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.16658"
                           xFract="0.49367062"
                           y3="4.22134"
                           yFract="0.50015877"
                           z3="8.53952"
                           zFract="0.38431683"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19134"
                           xFract="0.73357109"
                           y3="6.36385"
                           yFract="0.75401066"
                           z3="4.21276"
                           zFract="0.18959316"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40401"
                           xFract="0.75876896"
                           y3="6.32749"
                           yFract="0.74970261"
                           z3="8.43748"
                           zFract="0.37972457"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03137"
                           xFract="-0.00371682"
                           y3="4.17906"
                           yFract="0.49514929"
                           z3="9.81352"
                           zFract="0.44165257"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.4345"
                           xFract="0.99934834"
                           y3="6.4303"
                           yFract="0.76188389"
                           z3="8.41629"
                           zFract="0.37877093"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3340"
                           xFract="0.75047393"
                           y3="0.01259"
                           yFract="0.00149171"
                           z3="4.22878"
                           zFract="0.19031413"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00042"
                           xFract="-0.00004976"
                           y3="2.03572"
                           yFract="0.24119905"
                           z3="8.44606"
                           zFract="0.38011071"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34194"
                           xFract="0.75141469"
                           y3="6.33125"
                           yFract="0.7501481"
                           z3="6.33071"
                           zFract="0.28491044"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20782"
                           xFract="0.49855687"
                           y3="6.33834"
                           yFract="0.75098815"
                           z3="4.20791"
                           zFract="0.18937489"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4288"
                           xFract="0.99867299"
                           y3="0.00844"
                           yFract="0.0010"
                           z3="6.31059"
                           zFract="0.28400495"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42331"
                           xFract="0.99802251"
                           y3="2.09515"
                           yFract="0.24824052"
                           z3="4.19987"
                           zFract="0.18901305"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.18025"
                           xFract="0.25832346"
                           y3="4.18822"
                           yFract="0.4962346"
                           z3="8.37033"
                           zFract="0.37670252"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10929"
                           xFract="0.24991588"
                           y3="4.20908"
                           yFract="0.49870616"
                           z3="4.23638"
                           zFract="0.19065617"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08833"
                           xFract="0.24743246"
                           y3="6.34323"
                           yFract="0.75156754"
                           z3="6.33879"
                           zFract="0.28527408"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09289"
                           xFract="0.24797275"
                           y3="0.00672"
                           yFract="0.00079621"
                           z3="4.20628"
                           zFract="0.18930153"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24627"
                           xFract="0.50311256"
                           y3="0.04173"
                           yFract="0.00494431"
                           z3="6.30461"
                           zFract="0.28373582"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3455"
                           xFract="0.75183649"
                           y3="2.11811"
                           yFract="0.2509609"
                           z3="6.38874"
                           zFract="0.28752205"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.16191"
                           xFract="0.73008412"
                           y3="4.18207"
                           yFract="0.49550592"
                           z3="8.63514"
                           zFract="0.38862016"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25847"
                           xFract="0.50455806"
                           y3="2.10683"
                           yFract="0.24962441"
                           z3="8.5982"
                           zFract="0.3869577"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42376"
                           xFract="0.99807583"
                           y3="6.31248"
                           yFract="0.74792417"
                           z3="4.23224"
                           zFract="0.19046985"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41858"
                           xFract="0.99746209"
                           y3="4.20696"
                           yFract="0.49845498"
                           z3="6.25219"
                           zFract="0.28137669"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21687"
                           xFract="0.49962915"
                           y3="2.11503"
                           yFract="0.25059597"
                           z3="4.17031"
                           zFract="0.18768272"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12279"
                           xFract="0.2515154"
                           y3="2.10809"
                           yFract="0.2497737"
                           z3="6.35845"
                           zFract="0.28615887"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.34981"
                           xFract="0.75234716"
                           y3="4.1979"
                           yFract="0.49738152"
                           z3="4.2349"
                           zFract="0.19058956"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24386"
                           xFract="0.50282701"
                           y3="6.35105"
                           yFract="0.75249408"
                           z3="8.46532"
                           zFract="0.3809775"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29572"
                           xFract="0.50897156"
                           y3="4.16909"
                           yFract="0.49396801"
                           z3="6.37637"
                           zFract="0.28696535"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1338"
                           xFract="0.25281991"
                           y3="0.02205"
                           yFract="0.00261256"
                           z3="8.40828"
                           zFract="0.37841044"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30926"
                           xFract="0.74754265"
                           y3="0.03207"
                           yFract="0.00379976"
                           z3="8.47224"
                           zFract="0.38128893"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.3129"
                           xFract="0.98494076"
                           y3="2.02348"
                           yFract="0.23974882"
                           z3="6.28118"
                           zFract="0.28268137"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14613"
                           xFract="0.25428081"
                           y3="8.41186"
                           yFract="0.99666588"
                           z3="6.29281"
                           zFract="0.28320477"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43905"
                           xFract="0.99988744"
                           y3="0.00557"
                           yFract="0.00065995"
                           z3="4.24294"
                           zFract="0.1909514"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43301"
                           xFract="0.9991718"
                           y3="0.0312"
                           yFract="0.00369668"
                           z3="8.37679"
                           zFract="0.37699325"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09579"
                           xFract="0.24831635"
                           y3="2.10907"
                           yFract="0.24988981"
                           z3="4.26503"
                           zFract="0.19194554"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98553"
                           xFract="0.23525237"
                           y3="2.09256"
                           yFract="0.24793365"
                           z3="8.4696"
                           zFract="0.38117012"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37746"
                           xFract="0.5186564"
                           y3="2.11416"
                           yFract="0.25049289"
                           z3="6.20276"
                           zFract="0.27915212"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32479"
                           xFract="0.7493827"
                           y3="8.31903"
                           yFract="0.98566706"
                           z3="6.29286"
                           zFract="0.28320702"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20798"
                           xFract="0.49857583"
                           y3="8.3122"
                           yFract="0.98485782"
                           z3="4.19386"
                           zFract="0.18874257"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23746"
                           xFract="0.50206872"
                           y3="0.00586"
                           yFract="0.00069431"
                           z3="8.45955"
                           zFract="0.38071782"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33466"
                           xFract="0.75055213"
                           y3="2.07127"
                           yFract="0.24541114"
                           z3="4.08226"
                           zFract="0.18372007"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.4809"
                           xFract="0.76787915"
                           y3="2.10371"
                           yFract="0.24925474"
                           z3="8.6130"
                           zFract="0.38762376"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42077"
                           xFract="0.99772156"
                           y3="6.42851"
                           yFract="0.7616718"
                           z3="6.32972"
                           zFract="0.28486589"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.00255"
                           xFract="0.23726896"
                           y3="4.2647"
                           yFract="0.50529621"
                           z3="6.3467"
                           zFract="0.28563006"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03382"
                           xFract="0.00400711"
                           y3="4.17869"
                           yFract="0.49510545"
                           z3="4.09044"
                           zFract="0.18408821"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14653"
                           xFract="0.01736137"
                           y3="4.17392"
                           yFract="0.49454028"
                           z3="8.84501"
                           zFract="0.39806526"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2089"
                           xFract="0.26171801"
                           y3="6.32763"
                           yFract="0.74971919"
                           z3="4.26016"
                           zFract="0.19172637"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06018"
                           xFract="0.24409716"
                           y3="6.32532"
                           yFract="0.7494455"
                           z3="8.4543"
                           zFract="0.38048155"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23259"
                           xFract="0.50149171"
                           y3="6.33498"
                           yFract="0.75059005"
                           z3="6.27615"
                           zFract="0.282455"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43712"
                           xFract="0.76269194"
                           y3="4.34135"
                           yFract="0.51437796"
                           z3="6.29848"
                           zFract="0.28345995"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19877"
                           xFract="0.4974846"
                           y3="4.37496"
                           yFract="0.51836019"
                           z3="4.26066"
                           zFract="0.19174887"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.16393"
                           xFract="0.49335664"
                           y3="4.22238"
                           yFract="0.50028199"
                           z3="8.53849"
                           zFract="0.38427048"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19106"
                           xFract="0.73353791"
                           y3="6.3632"
                           yFract="0.75393365"
                           z3="4.21285"
                           zFract="0.18959721"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40532"
                           xFract="0.75892417"
                           y3="6.32944"
                           yFract="0.74993365"
                           z3="8.43771"
                           zFract="0.37973492"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03152"
                           xFract="-0.0037346"
                           y3="4.17923"
                           yFract="0.49516943"
                           z3="9.81996"
                           zFract="0.44194239"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.43557"
                           xFract="0.99947512"
                           y3="6.42863"
                           yFract="0.76168602"
                           z3="8.41905"
                           zFract="0.37889514"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33398"
                           xFract="0.75047156"
                           y3="0.01252"
                           yFract="0.00148341"
                           z3="4.22883"
                           zFract="0.19031638"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00018"
                           xFract="0.00002133"
                           y3="2.04011"
                           yFract="0.24171919"
                           z3="8.44814"
                           zFract="0.38020432"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34241"
                           xFract="0.75147038"
                           y3="6.33144"
                           yFract="0.75017062"
                           z3="6.33189"
                           zFract="0.28496355"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20755"
                           xFract="0.49852488"
                           y3="6.33903"
                           yFract="0.75106991"
                           z3="4.20851"
                           zFract="0.18940189"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42914"
                           xFract="0.99871327"
                           y3="0.00878"
                           yFract="0.00104028"
                           z3="6.31199"
                           zFract="0.28406796"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42353"
                           xFract="0.99804858"
                           y3="2.09495"
                           yFract="0.24821682"
                           z3="4.19886"
                           zFract="0.1889676"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.17348"
                           xFract="0.25752133"
                           y3="4.18787"
                           yFract="0.49619313"
                           z3="8.37267"
                           zFract="0.37680783"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10922"
                           xFract="0.24990758"
                           y3="4.20906"
                           yFract="0.49870379"
                           z3="4.23524"
                           zFract="0.19060486"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08812"
                           xFract="0.24740758"
                           y3="6.34316"
                           yFract="0.75155924"
                           z3="6.33921"
                           zFract="0.28529298"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09311"
                           xFract="0.24799882"
                           y3="0.00671"
                           yFract="0.00079502"
                           z3="4.20627"
                           zFract="0.18930108"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24624"
                           xFract="0.503109"
                           y3="0.04178"
                           yFract="0.00495024"
                           z3="6.30394"
                           zFract="0.28370567"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34596"
                           xFract="0.751891"
                           y3="2.11808"
                           yFract="0.25095735"
                           z3="6.3894"
                           zFract="0.28755176"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.16257"
                           xFract="0.73016232"
                           y3="4.17983"
                           yFract="0.49524052"
                           z3="8.63335"
                           zFract="0.3885396"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25855"
                           xFract="0.50456754"
                           y3="2.10633"
                           yFract="0.24956517"
                           z3="8.59861"
                           zFract="0.38697615"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42396"
                           xFract="0.99809953"
                           y3="6.31301"
                           yFract="0.74798697"
                           z3="4.23137"
                           zFract="0.19043069"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41923"
                           xFract="0.9975391"
                           y3="4.20857"
                           yFract="0.49864573"
                           z3="6.25321"
                           zFract="0.28142259"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21671"
                           xFract="0.49961019"
                           y3="2.11463"
                           yFract="0.25054858"
                           z3="4.17065"
                           zFract="0.18769802"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1227"
                           xFract="0.25150474"
                           y3="2.10757"
                           yFract="0.24971209"
                           z3="6.35869"
                           zFract="0.28616967"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.34988"
                           xFract="0.75235545"
                           y3="4.19782"
                           yFract="0.49737204"
                           z3="4.23418"
                           zFract="0.19055716"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24316"
                           xFract="0.50274408"
                           y3="6.35181"
                           yFract="0.75258412"
                           z3="8.46549"
                           zFract="0.38098515"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2959"
                           xFract="0.50899289"
                           y3="4.16961"
                           yFract="0.49402962"
                           z3="6.37511"
                           zFract="0.28690864"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13523"
                           xFract="0.25298934"
                           y3="0.02164"
                           yFract="0.00256398"
                           z3="8.40929"
                           zFract="0.3784559"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30904"
                           xFract="0.74751659"
                           y3="0.03239"
                           yFract="0.00383768"
                           z3="8.47298"
                           zFract="0.38132223"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31322"
                           xFract="0.98497867"
                           y3="2.02684"
                           yFract="0.24014692"
                           z3="6.28247"
                           zFract="0.28273942"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14549"
                           xFract="0.25420498"
                           y3="8.41183"
                           yFract="0.99666232"
                           z3="6.29133"
                           zFract="0.28313816"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43904"
                           xFract="0.99988626"
                           y3="0.0060"
                           yFract="0.0007109"
                           z3="4.24141"
                           zFract="0.19088254"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43336"
                           xFract="0.99921327"
                           y3="0.03004"
                           yFract="0.00355924"
                           z3="8.37736"
                           zFract="0.3770189"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09527"
                           xFract="0.24825474"
                           y3="2.10887"
                           yFract="0.24986611"
                           z3="4.26504"
                           zFract="0.19194599"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98702"
                           xFract="0.23542891"
                           y3="2.08999"
                           yFract="0.24762915"
                           z3="8.46791"
                           zFract="0.38109406"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37704"
                           xFract="0.51860664"
                           y3="2.11403"
                           yFract="0.25047749"
                           z3="6.20349"
                           zFract="0.27918497"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32546"
                           xFract="0.74946209"
                           y3="8.31991"
                           yFract="0.98577133"
                           z3="6.29259"
                           zFract="0.28319487"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20813"
                           xFract="0.4985936"
                           y3="8.31248"
                           yFract="0.984891"
                           z3="4.19431"
                           zFract="0.18876283"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23732"
                           xFract="0.50205213"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="8.45945"
                           zFract="0.38071332"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33535"
                           xFract="0.75063389"
                           y3="2.07153"
                           yFract="0.24544194"
                           z3="4.08216"
                           zFract="0.18371557"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.48256"
                           xFract="0.76807583"
                           y3="2.10262"
                           yFract="0.24912559"
                           z3="8.61426"
                           zFract="0.38768047"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42046"
                           xFract="0.99768483"
                           y3="6.42539"
                           yFract="0.76130213"
                           z3="6.32962"
                           zFract="0.28486139"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.00091"
                           xFract="0.23707464"
                           y3="4.26429"
                           yFract="0.50524763"
                           z3="6.34529"
                           zFract="0.28556661"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03343"
                           xFract="0.0039609"
                           y3="4.17863"
                           yFract="0.49509834"
                           z3="4.08984"
                           zFract="0.18406121"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14785"
                           xFract="0.01751777"
                           y3="4.17282"
                           yFract="0.49440995"
                           z3="8.85434"
                           zFract="0.39848515"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2092"
                           xFract="0.26175355"
                           y3="6.32791"
                           yFract="0.74975237"
                           z3="4.25988"
                           zFract="0.19171377"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06149"
                           xFract="0.24425237"
                           y3="6.32813"
                           yFract="0.74977844"
                           z3="8.45259"
                           zFract="0.38040459"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23249"
                           xFract="0.50147986"
                           y3="6.33449"
                           yFract="0.75053199"
                           z3="6.27679"
                           zFract="0.2824838"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4381"
                           xFract="0.76280806"
                           y3="4.3407"
                           yFract="0.51430095"
                           z3="6.29801"
                           zFract="0.28343879"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19896"
                           xFract="0.49750711"
                           y3="4.37447"
                           yFract="0.51830213"
                           z3="4.26075"
                           zFract="0.19175293"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.16132"
                           xFract="0.49304739"
                           y3="4.22294"
                           yFract="0.50034834"
                           z3="8.53685"
                           zFract="0.38419667"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19088"
                           xFract="0.73351659"
                           y3="6.36287"
                           yFract="0.75389455"
                           z3="4.2129"
                           zFract="0.18959946"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40586"
                           xFract="0.75898815"
                           y3="6.33025"
                           yFract="0.75002962"
                           z3="8.43729"
                           zFract="0.37971602"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.0320"
                           xFract="-0.00379147"
                           y3="4.17975"
                           yFract="0.49523104"
                           z3="9.83927"
                           zFract="0.44281143"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="8.43877"
                           xFract="0.99985427"
                           y3="6.42359"
                           yFract="0.76108886"
                           z3="8.42733"
                           zFract="0.37926778"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33393"
                           xFract="0.75046564"
                           y3="0.01233"
                           yFract="0.0014609"
                           z3="4.22898"
                           zFract="0.19032313"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00197"
                           xFract="0.00023341"
                           y3="2.0533"
                           yFract="0.24328199"
                           z3="8.45439"
                           zFract="0.3804856"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34382"
                           xFract="0.75163744"
                           y3="6.33198"
                           yFract="0.7502346"
                           z3="6.33543"
                           zFract="0.28512286"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20673"
                           xFract="0.49842773"
                           y3="6.34109"
                           yFract="0.75131398"
                           z3="4.21031"
                           zFract="0.1894829"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43017"
                           xFract="0.99883531"
                           y3="0.00979"
                           yFract="0.00115995"
                           z3="6.3162"
                           zFract="0.28425743"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4242"
                           xFract="0.99812796"
                           y3="2.09437"
                           yFract="0.2481481"
                           z3="4.19582"
                           zFract="0.18883078"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.15316"
                           xFract="0.25511374"
                           y3="4.18682"
                           yFract="0.49606872"
                           z3="8.37971"
                           zFract="0.37712466"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10901"
                           xFract="0.2498827"
                           y3="4.20901"
                           yFract="0.49869787"
                           z3="4.23183"
                           zFract="0.1904514"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08749"
                           xFract="0.24733294"
                           y3="6.34294"
                           yFract="0.75153318"
                           z3="6.34046"
                           zFract="0.28534923"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09377"
                           xFract="0.24807701"
                           y3="0.00667"
                           yFract="0.00079028"
                           z3="4.20622"
                           zFract="0.18929883"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24616"
                           xFract="0.50309953"
                           y3="0.04195"
                           yFract="0.00497038"
                           z3="6.30194"
                           zFract="0.28361566"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34734"
                           xFract="0.7520545"
                           y3="2.11797"
                           yFract="0.25094431"
                           z3="6.39137"
                           zFract="0.28764041"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.16454"
                           xFract="0.73039573"
                           y3="4.17311"
                           yFract="0.49444431"
                           z3="8.62801"
                           zFract="0.38829928"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25878"
                           xFract="0.50459479"
                           y3="2.10485"
                           yFract="0.24938981"
                           z3="8.59986"
                           zFract="0.3870324"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42455"
                           xFract="0.99816943"
                           y3="6.31461"
                           yFract="0.74817654"
                           z3="4.22876"
                           zFract="0.19031323"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42118"
                           xFract="0.99777014"
                           y3="4.21339"
                           yFract="0.49921682"
                           z3="6.25627"
                           zFract="0.28156031"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21623"
                           xFract="0.49955332"
                           y3="2.11343"
                           yFract="0.2504064"
                           z3="4.17167"
                           zFract="0.18774392"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12244"
                           xFract="0.25147393"
                           y3="2.10602"
                           yFract="0.24952844"
                           z3="6.35943"
                           zFract="0.28620297"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3501"
                           xFract="0.75238152"
                           y3="4.19756"
                           yFract="0.49734123"
                           z3="4.23202"
                           zFract="0.19045995"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24105"
                           xFract="0.50249408"
                           y3="6.35408"
                           yFract="0.75285308"
                           z3="8.46601"
                           zFract="0.38100855"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29645"
                           xFract="0.50905806"
                           y3="4.17114"
                           yFract="0.4942109"
                           z3="6.37131"
                           zFract="0.28673762"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13952"
                           xFract="0.25349763"
                           y3="0.02038"
                           yFract="0.00241469"
                           z3="8.41231"
                           zFract="0.37859181"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30839"
                           xFract="0.74743957"
                           y3="0.03333"
                           yFract="0.00394905"
                           z3="8.4752"
                           zFract="0.38142214"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31419"
                           xFract="0.9850936"
                           y3="2.03691"
                           yFract="0.24134005"
                           z3="6.28634"
                           zFract="0.28291359"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14358"
                           xFract="0.25397867"
                           y3="8.41176"
                           yFract="0.99665403"
                           z3="6.28689"
                           zFract="0.28293834"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43899"
                           xFract="0.99988033"
                           y3="0.00729"
                           yFract="0.00086374"
                           z3="4.23681"
                           zFract="0.19067552"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43439"
                           xFract="0.99933531"
                           y3="0.02656"
                           yFract="0.00314692"
                           z3="8.37908"
                           zFract="0.37709631"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09372"
                           xFract="0.24807109"
                           y3="2.10826"
                           yFract="0.24979384"
                           z3="4.26506"
                           zFract="0.19194689"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9915"
                           xFract="0.23595972"
                           y3="2.08229"
                           yFract="0.24671682"
                           z3="8.46284"
                           zFract="0.38086589"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37578"
                           xFract="0.51845735"
                           y3="2.11366"
                           yFract="0.25043365"
                           z3="6.20567"
                           zFract="0.27928308"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32745"
                           xFract="0.74969787"
                           y3="8.32253"
                           yFract="0.98608175"
                           z3="6.29181"
                           zFract="0.28315977"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20861"
                           xFract="0.49865047"
                           y3="8.31333"
                           yFract="0.98499171"
                           z3="4.19569"
                           zFract="0.18882493"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23688"
                           xFract="0.5020"
                           y3="0.00658"
                           yFract="0.00077962"
                           z3="8.45913"
                           zFract="0.38069892"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33744"
                           xFract="0.75088152"
                           y3="2.0723"
                           yFract="0.24553318"
                           z3="4.08186"
                           zFract="0.18370207"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.48753"
                           xFract="0.76866469"
                           y3="2.09936"
                           yFract="0.24873934"
                           z3="8.61805"
                           zFract="0.38785104"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41952"
                           xFract="0.99757346"
                           y3="6.41604"
                           yFract="0.76019431"
                           z3="6.3293"
                           zFract="0.28484698"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.99597"
                           xFract="0.23648934"
                           y3="4.26307"
                           yFract="0.50510308"
                           z3="6.34108"
                           zFract="0.28537714"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03226"
                           xFract="0.00382227"
                           y3="4.17847"
                           yFract="0.49507938"
                           z3="4.08805"
                           zFract="0.18398065"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15182"
                           xFract="0.01798815"
                           y3="4.16952"
                           yFract="0.49401896"
                           z3="8.88233"
                           zFract="0.39974482"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2101"
                           xFract="0.26186019"
                           y3="6.32875"
                           yFract="0.7498519"
                           z3="4.25903"
                           zFract="0.19167552"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06543"
                           xFract="0.24471919"
                           y3="6.33657"
                           yFract="0.75077844"
                           z3="8.44748"
                           zFract="0.38017462"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23219"
                           xFract="0.50144431"
                           y3="6.33302"
                           yFract="0.75035782"
                           z3="6.27873"
                           zFract="0.28257111"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44101"
                           xFract="0.76315284"
                           y3="4.33878"
                           yFract="0.51407346"
                           z3="6.29659"
                           zFract="0.28337489"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19954"
                           xFract="0.49757583"
                           y3="4.37299"
                           yFract="0.51812678"
                           z3="4.26103"
                           zFract="0.19176553"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15348"
                           xFract="0.49211848"
                           y3="4.22462"
                           yFract="0.50054739"
                           z3="8.53193"
                           zFract="0.38397525"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19036"
                           xFract="0.73345498"
                           y3="6.36187"
                           yFract="0.75377607"
                           z3="4.21305"
                           zFract="0.18960621"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40748"
                           xFract="0.75918009"
                           y3="6.33268"
                           yFract="0.75031754"
                           z3="8.43603"
                           zFract="0.37965932"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a63" order="S"/>
                     <bond atomRefs2="a2 a81" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03294"
                           xFract="-0.00390284"
                           y3="4.1808"
                           yFract="0.49535545"
                           z3="9.8779"
                           zFract="0.44454995"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.00517"
                           xFract="0.00061256"
                           y3="6.41351"
                           yFract="0.75989455"
                           z3="8.44389"
                           zFract="0.38001305"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33384"
                           xFract="0.75045498"
                           y3="0.01194"
                           yFract="0.00141469"
                           z3="4.22929"
                           zFract="0.19033708"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00556"
                           xFract="0.00065877"
                           y3="2.07966"
                           yFract="0.24640521"
                           z3="8.46689"
                           zFract="0.38104815"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34665"
                           xFract="0.75197275"
                           y3="6.33308"
                           yFract="0.75036493"
                           z3="6.34251"
                           zFract="0.28544149"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20511"
                           xFract="0.49823578"
                           y3="6.34522"
                           yFract="0.75180332"
                           z3="4.2139"
                           zFract="0.18964446"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43223"
                           xFract="0.99907938"
                           y3="0.01181"
                           yFract="0.00139929"
                           z3="6.32462"
                           zFract="0.28463636"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42554"
                           xFract="0.99828673"
                           y3="2.09319"
                           yFract="0.24800829"
                           z3="4.18973"
                           zFract="0.18855671"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11253"
                           xFract="0.25029976"
                           y3="4.18472"
                           yFract="0.49581991"
                           z3="8.39378"
                           zFract="0.37775788"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10858"
                           xFract="0.24983175"
                           y3="4.2089"
                           yFract="0.49868483"
                           z3="4.2250"
                           zFract="0.19014401"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08623"
                           xFract="0.24718365"
                           y3="6.34251"
                           yFract="0.75148223"
                           z3="6.34297"
                           zFract="0.2854622"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09508"
                           xFract="0.24823223"
                           y3="0.00659"
                           yFract="0.00078081"
                           z3="4.20612"
                           zFract="0.18929433"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24599"
                           xFract="0.50307938"
                           y3="0.04228"
                           yFract="0.00500948"
                           z3="6.29794"
                           zFract="0.28343564"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3501"
                           xFract="0.75238152"
                           y3="2.11777"
                           yFract="0.25092062"
                           z3="6.39532"
                           zFract="0.28781818"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.16848"
                           xFract="0.73086256"
                           y3="4.15968"
                           yFract="0.49285308"
                           z3="8.61731"
                           zFract="0.38781773"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25924"
                           xFract="0.50464929"
                           y3="2.10188"
                           yFract="0.24903791"
                           z3="8.60236"
                           zFract="0.38714491"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42574"
                           xFract="0.99831043"
                           y3="6.31781"
                           yFract="0.74855569"
                           z3="4.22353"
                           zFract="0.19007786"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42507"
                           xFract="0.99823104"
                           y3="4.22303"
                           yFract="0.500359"
                           z3="6.26239"
                           zFract="0.28183573"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21527"
                           xFract="0.49943957"
                           y3="2.11102"
                           yFract="0.25012085"
                           z3="4.17372"
                           zFract="0.18783618"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1219"
                           xFract="0.25140995"
                           y3="2.10291"
                           yFract="0.24915995"
                           z3="6.36089"
                           zFract="0.28626868"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35052"
                           xFract="0.75243128"
                           y3="4.19703"
                           yFract="0.49727844"
                           z3="4.22769"
                           zFract="0.19026508"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23682"
                           xFract="0.50199289"
                           y3="6.35863"
                           yFract="0.75339218"
                           z3="8.46703"
                           zFract="0.38105446"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29754"
                           xFract="0.5091872"
                           y3="4.17421"
                           yFract="0.49457464"
                           z3="6.36373"
                           zFract="0.28639649"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1481"
                           xFract="0.25451422"
                           y3="0.01788"
                           yFract="0.00211848"
                           z3="8.41836"
                           zFract="0.37886409"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30708"
                           xFract="0.74728436"
                           y3="0.03522"
                           yFract="0.00417299"
                           z3="8.47964"
                           zFract="0.38162196"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31611"
                           xFract="0.98532109"
                           y3="2.05706"
                           yFract="0.24372749"
                           z3="6.29409"
                           zFract="0.28326238"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13975"
                           xFract="0.25352488"
                           y3="8.41163"
                           yFract="0.99663863"
                           z3="6.2780"
                           zFract="0.28253825"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43889"
                           xFract="0.99986848"
                           y3="0.00986"
                           yFract="0.00116825"
                           z3="4.22762"
                           zFract="0.19026193"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43645"
                           xFract="0.99957938"
                           y3="0.0196"
                           yFract="0.00232227"
                           z3="8.38251"
                           zFract="0.37725068"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09061"
                           xFract="0.24770261"
                           y3="2.10704"
                           yFract="0.24964929"
                           z3="4.26509"
                           zFract="0.19194824"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00046"
                           xFract="0.23702133"
                           y3="2.06687"
                           yFract="0.24488981"
                           z3="8.45269"
                           zFract="0.38040909"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37325"
                           xFract="0.51815758"
                           y3="2.11291"
                           yFract="0.25034479"
                           z3="6.21003"
                           zFract="0.2794793"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33145"
                           xFract="0.7501718"
                           y3="8.32779"
                           yFract="0.98670498"
                           z3="6.29024"
                           zFract="0.28308911"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20956"
                           xFract="0.49876303"
                           y3="8.31503"
                           yFract="0.98519313"
                           z3="4.19843"
                           zFract="0.18894824"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23601"
                           xFract="0.50189692"
                           y3="0.00765"
                           yFract="0.0009064"
                           z3="8.4585"
                           zFract="0.38067057"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34162"
                           xFract="0.75137678"
                           y3="2.07385"
                           yFract="0.24571682"
                           z3="4.08125"
                           zFract="0.18367462"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.49748"
                           xFract="0.7698436"
                           y3="2.09284"
                           yFract="0.24796682"
                           z3="8.62562"
                           zFract="0.38819172"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41764"
                           xFract="0.99735071"
                           y3="6.39733"
                           yFract="0.75797749"
                           z3="6.32867"
                           zFract="0.28481863"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.98611"
                           xFract="0.23532109"
                           y3="4.26061"
                           yFract="0.50481161"
                           z3="6.33267"
                           zFract="0.28499865"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02992"
                           xFract="0.00354502"
                           y3="4.17813"
                           yFract="0.4950391"
                           z3="4.08446"
                           zFract="0.18381908"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15975"
                           xFract="0.01892773"
                           y3="4.16293"
                           yFract="0.49323815"
                           z3="8.9383"
                           zFract="0.40226373"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21189"
                           xFract="0.26207227"
                           y3="6.33043"
                           yFract="0.75005095"
                           z3="4.25735"
                           zFract="0.19159991"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07331"
                           xFract="0.24565284"
                           y3="6.35345"
                           yFract="0.75277844"
                           z3="8.43725"
                           zFract="0.37971422"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23158"
                           xFract="0.50137204"
                           y3="6.33007"
                           yFract="0.75000829"
                           z3="6.28259"
                           zFract="0.28274482"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44685"
                           xFract="0.76384479"
                           y3="4.33494"
                           yFract="0.51361848"
                           z3="6.29374"
                           zFract="0.28324662"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20069"
                           xFract="0.49771209"
                           y3="4.37002"
                           yFract="0.51777488"
                           z3="4.26158"
                           zFract="0.19179028"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13779"
                           xFract="0.49025948"
                           y3="4.22799"
                           yFract="0.50094668"
                           z3="8.5221"
                           zFract="0.38353285"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1893"
                           xFract="0.73332938"
                           y3="6.35987"
                           yFract="0.7535391"
                           z3="4.21335"
                           zFract="0.18961971"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41071"
                           xFract="0.7595628"
                           y3="6.33755"
                           yFract="0.75089455"
                           z3="8.43351"
                           zFract="0.3795459"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03267"
                           xFract="-0.00387085"
                           y3="4.1805"
                           yFract="0.49531991"
                           z3="9.86672"
                           zFract="0.4440468"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.00332"
                           xFract="0.00039336"
                           y3="6.41643"
                           yFract="0.76024052"
                           z3="8.43909"
                           zFract="0.37979703"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33387"
                           xFract="0.75045853"
                           y3="0.01205"
                           yFract="0.00142773"
                           z3="4.2292"
                           zFract="0.19033303"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00452"
                           xFract="0.00053555"
                           y3="2.07203"
                           yFract="0.24550118"
                           z3="8.46327"
                           zFract="0.38088524"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34583"
                           xFract="0.75187559"
                           y3="6.33276"
                           yFract="0.75032701"
                           z3="6.34046"
                           zFract="0.28534923"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20558"
                           xFract="0.49829147"
                           y3="6.34403"
                           yFract="0.75166232"
                           z3="4.21286"
                           zFract="0.18959766"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43164"
                           xFract="0.99900948"
                           y3="0.01122"
                           yFract="0.00132938"
                           z3="6.32218"
                           zFract="0.28452655"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42516"
                           xFract="0.99824171"
                           y3="2.09353"
                           yFract="0.24804858"
                           z3="4.1915"
                           zFract="0.18863636"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12429"
                           xFract="0.25169313"
                           y3="4.18533"
                           yFract="0.49589218"
                           z3="8.3897"
                           zFract="0.37757426"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10871"
                           xFract="0.24984716"
                           y3="4.20894"
                           yFract="0.49868957"
                           z3="4.22698"
                           zFract="0.19023312"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08659"
                           xFract="0.2472263"
                           y3="6.34264"
                           yFract="0.75149763"
                           z3="6.34225"
                           zFract="0.28542979"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0947"
                           xFract="0.2481872"
                           y3="0.00661"
                           yFract="0.00078318"
                           z3="4.20615"
                           zFract="0.18929568"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24604"
                           xFract="0.50308531"
                           y3="0.04219"
                           yFract="0.00499882"
                           z3="6.2991"
                           zFract="0.28348785"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3493"
                           xFract="0.75228673"
                           y3="2.11783"
                           yFract="0.25092773"
                           z3="6.39417"
                           zFract="0.28776643"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.16734"
                           xFract="0.73072749"
                           y3="4.16357"
                           yFract="0.49331398"
                           z3="8.62041"
                           zFract="0.38795725"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25911"
                           xFract="0.50463389"
                           y3="2.10274"
                           yFract="0.24913981"
                           z3="8.60164"
                           zFract="0.38711251"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4254"
                           xFract="0.99827014"
                           y3="6.31688"
                           yFract="0.7484455"
                           z3="4.22504"
                           zFract="0.19014581"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42394"
                           xFract="0.99809716"
                           y3="4.22024"
                           yFract="0.50002844"
                           z3="6.26062"
                           zFract="0.28175608"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21555"
                           xFract="0.49947275"
                           y3="2.11172"
                           yFract="0.25020379"
                           z3="4.17313"
                           zFract="0.18780963"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12206"
                           xFract="0.25142891"
                           y3="2.10381"
                           yFract="0.24926659"
                           z3="6.36047"
                           zFract="0.28624977"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3504"
                           xFract="0.75241706"
                           y3="4.19718"
                           yFract="0.49729621"
                           z3="4.22895"
                           zFract="0.19032178"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23804"
                           xFract="0.50213744"
                           y3="6.35731"
                           yFract="0.75323578"
                           z3="8.46673"
                           zFract="0.38104095"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29722"
                           xFract="0.50914929"
                           y3="4.17332"
                           yFract="0.49446919"
                           z3="6.36592"
                           zFract="0.28649505"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14561"
                           xFract="0.25421919"
                           y3="0.0186"
                           yFract="0.00220379"
                           z3="8.41661"
                           zFract="0.37878533"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30746"
                           xFract="0.74732938"
                           y3="0.03468"
                           yFract="0.004109"
                           z3="8.47835"
                           zFract="0.38156391"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31555"
                           xFract="0.98525474"
                           y3="2.05123"
                           yFract="0.24303673"
                           z3="6.29185"
                           zFract="0.28316157"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14086"
                           xFract="0.2536564"
                           y3="8.41167"
                           yFract="0.99664336"
                           z3="6.28057"
                           zFract="0.28265392"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43892"
                           xFract="0.99987204"
                           y3="0.00911"
                           yFract="0.00107938"
                           z3="4.23028"
                           zFract="0.19038164"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43586"
                           xFract="0.99950948"
                           y3="0.02161"
                           yFract="0.00256043"
                           z3="8.38151"
                           zFract="0.37720567"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09151"
                           xFract="0.24780924"
                           y3="2.10739"
                           yFract="0.24969076"
                           z3="4.26508"
                           zFract="0.19194779"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99787"
                           xFract="0.23671445"
                           y3="2.07133"
                           yFract="0.24541825"
                           z3="8.45563"
                           zFract="0.3805414"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37398"
                           xFract="0.51824408"
                           y3="2.11312"
                           yFract="0.25036967"
                           z3="6.20877"
                           zFract="0.27942259"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33029"
                           xFract="0.75003436"
                           y3="8.32626"
                           yFract="0.9865237"
                           z3="6.29069"
                           zFract="0.28310936"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20929"
                           xFract="0.49873104"
                           y3="8.31454"
                           yFract="0.98513507"
                           z3="4.19764"
                           zFract="0.18891269"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23626"
                           xFract="0.50192654"
                           y3="0.00734"
                           yFract="0.00086967"
                           z3="8.45868"
                           zFract="0.38067867"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34041"
                           xFract="0.75123341"
                           y3="2.0734"
                           yFract="0.24566351"
                           z3="4.08143"
                           zFract="0.18368272"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.4946"
                           xFract="0.76950237"
                           y3="2.09472"
                           yFract="0.24818957"
                           z3="8.62343"
                           zFract="0.38809316"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41818"
                           xFract="0.99741469"
                           y3="6.40275"
                           yFract="0.75861967"
                           z3="6.32885"
                           zFract="0.28482673"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.98896"
                           xFract="0.23565877"
                           y3="4.26132"
                           yFract="0.50489573"
                           z3="6.3351"
                           zFract="0.28510801"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0306"
                           xFract="0.00362559"
                           y3="4.17823"
                           yFract="0.49505095"
                           z3="4.0855"
                           zFract="0.18386589"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15745"
                           xFract="0.01865521"
                           y3="4.16484"
                           yFract="0.49346445"
                           z3="8.92209"
                           zFract="0.4015342"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21137"
                           xFract="0.26201066"
                           y3="6.32994"
                           yFract="0.74999289"
                           z3="4.25783"
                           zFract="0.19162151"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07103"
                           xFract="0.2453827"
                           y3="6.34856"
                           yFract="0.75219905"
                           z3="8.44021"
                           zFract="0.37984743"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23175"
                           xFract="0.50139218"
                           y3="6.33092"
                           yFract="0.750109"
                           z3="6.28147"
                           zFract="0.28269442"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44516"
                           xFract="0.76364455"
                           y3="4.33605"
                           yFract="0.51375"
                           z3="6.29456"
                           zFract="0.28328353"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20035"
                           xFract="0.4976718"
                           y3="4.37088"
                           yFract="0.51787678"
                           z3="4.26142"
                           zFract="0.19178308"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14233"
                           xFract="0.49079739"
                           y3="4.22701"
                           yFract="0.50083057"
                           z3="8.52495"
                           zFract="0.38366112"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18961"
                           xFract="0.73336611"
                           y3="6.36045"
                           yFract="0.75360782"
                           z3="4.21326"
                           zFract="0.18961566"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40977"
                           xFract="0.75945142"
                           y3="6.33614"
                           yFract="0.75072749"
                           z3="8.43424"
                           zFract="0.37957876"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03535"
                           xFract="-0.00418839"
                           y3="4.18119"
                           yFract="0.49540166"
                           z3="9.89524"
                           zFract="0.44533033"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.00433"
                           xFract="0.00051303"
                           y3="6.40957"
                           yFract="0.75942773"
                           z3="8.44646"
                           zFract="0.38012871"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33414"
                           xFract="0.75049052"
                           y3="0.01213"
                           yFract="0.0014372"
                           z3="4.22987"
                           zFract="0.19036319"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00592"
                           xFract="0.00070142"
                           y3="2.07774"
                           yFract="0.24617773"
                           z3="8.46904"
                           zFract="0.38114491"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34682"
                           xFract="0.75199289"
                           y3="6.33361"
                           yFract="0.75042773"
                           z3="6.34317"
                           zFract="0.2854712"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20599"
                           xFract="0.49834005"
                           y3="6.34391"
                           yFract="0.7516481"
                           z3="4.21407"
                           zFract="0.18965212"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43227"
                           xFract="0.99908412"
                           y3="0.0122"
                           yFract="0.0014455"
                           z3="6.32711"
                           zFract="0.28474842"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4257"
                           xFract="0.99830569"
                           y3="2.09416"
                           yFract="0.24812322"
                           z3="4.19136"
                           zFract="0.18863006"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11509"
                           xFract="0.25060308"
                           y3="4.18462"
                           yFract="0.49580806"
                           z3="8.39337"
                           zFract="0.37773942"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10754"
                           xFract="0.24970853"
                           y3="4.20865"
                           yFract="0.49865521"
                           z3="4.22454"
                           zFract="0.19012331"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08619"
                           xFract="0.24717891"
                           y3="6.34246"
                           yFract="0.7514763"
                           z3="6.34139"
                           zFract="0.28539109"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09488"
                           xFract="0.24820853"
                           y3="0.00668"
                           yFract="0.00079147"
                           z3="4.20581"
                           zFract="0.18928038"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24605"
                           xFract="0.50308649"
                           y3="0.04218"
                           yFract="0.00499763"
                           z3="6.29726"
                           zFract="0.28340504"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3500"
                           xFract="0.75236967"
                           y3="2.11792"
                           yFract="0.25093839"
                           z3="6.39575"
                           zFract="0.28783753"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.17168"
                           xFract="0.73124171"
                           y3="4.15715"
                           yFract="0.49255332"
                           z3="8.61694"
                           zFract="0.38780108"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25849"
                           xFract="0.50456043"
                           y3="2.1042"
                           yFract="0.2493128"
                           z3="8.60204"
                           zFract="0.38713051"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42589"
                           xFract="0.9983282"
                           y3="6.31791"
                           yFract="0.74856754"
                           z3="4.22386"
                           zFract="0.19009271"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42447"
                           xFract="0.99815995"
                           y3="4.22434"
                           yFract="0.50051422"
                           z3="6.26691"
                           zFract="0.28203915"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21536"
                           xFract="0.49945024"
                           y3="2.11066"
                           yFract="0.2500782"
                           z3="4.1744"
                           zFract="0.18786679"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1219"
                           xFract="0.25140995"
                           y3="2.10224"
                           yFract="0.24908057"
                           z3="6.35946"
                           zFract="0.28620432"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35165"
                           xFract="0.75256517"
                           y3="4.19705"
                           yFract="0.49728081"
                           z3="4.22752"
                           zFract="0.19025743"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23685"
                           xFract="0.50199645"
                           y3="6.35433"
                           yFract="0.7528827"
                           z3="8.46709"
                           zFract="0.38105716"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29572"
                           xFract="0.50897156"
                           y3="4.17462"
                           yFract="0.49462322"
                           z3="6.3670"
                           zFract="0.28654365"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14479"
                           xFract="0.25412204"
                           y3="0.01734"
                           yFract="0.0020545"
                           z3="8.41859"
                           zFract="0.37887444"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31162"
                           xFract="0.74782227"
                           y3="0.03501"
                           yFract="0.0041481"
                           z3="8.48045"
                           zFract="0.38165842"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31659"
                           xFract="0.98537796"
                           y3="2.05766"
                           yFract="0.24379858"
                           z3="6.2961"
                           zFract="0.28335284"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13968"
                           xFract="0.25351659"
                           y3="8.4119"
                           yFract="0.99667062"
                           z3="6.27698"
                           zFract="0.28249235"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43855"
                           xFract="0.9998282"
                           y3="0.00965"
                           yFract="0.00114336"
                           z3="4.22848"
                           zFract="0.19030063"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43576"
                           xFract="0.99949763"
                           y3="0.02259"
                           yFract="0.00267654"
                           z3="8.38109"
                           zFract="0.37718677"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09086"
                           xFract="0.24773223"
                           y3="2.10699"
                           yFract="0.24964336"
                           z3="4.26522"
                           zFract="0.1919541"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0019"
                           xFract="0.23719194"
                           y3="2.07053"
                           yFract="0.24532346"
                           z3="8.45147"
                           zFract="0.38035419"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37389"
                           xFract="0.51823341"
                           y3="2.11213"
                           yFract="0.25025237"
                           z3="6.21028"
                           zFract="0.27949055"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33181"
                           xFract="0.75021445"
                           y3="8.32838"
                           yFract="0.98677488"
                           z3="6.28984"
                           zFract="0.28307111"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2099"
                           xFract="0.49880332"
                           y3="8.31581"
                           yFract="0.98528555"
                           z3="4.1982"
                           zFract="0.18893789"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23792"
                           xFract="0.50212322"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="8.45834"
                           zFract="0.38066337"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34145"
                           xFract="0.75135664"
                           y3="2.07339"
                           yFract="0.24566232"
                           z3="4.08126"
                           zFract="0.18367507"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.49751"
                           xFract="0.76984716"
                           y3="2.09509"
                           yFract="0.24823341"
                           z3="8.62705"
                           zFract="0.38825608"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41799"
                           xFract="0.99739218"
                           y3="6.39673"
                           yFract="0.7579064"
                           z3="6.3289"
                           zFract="0.28482898"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.98585"
                           xFract="0.23529028"
                           y3="4.25995"
                           yFract="0.50473341"
                           z3="6.33759"
                           zFract="0.28522007"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02933"
                           xFract="0.00347512"
                           y3="4.17897"
                           yFract="0.49513863"
                           z3="4.08762"
                           zFract="0.1839613"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15897"
                           xFract="0.01883531"
                           y3="4.1627"
                           yFract="0.4932109"
                           z3="8.93301"
                           zFract="0.40202565"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21212"
                           xFract="0.26209953"
                           y3="6.3306"
                           yFract="0.75007109"
                           z3="4.2571"
                           zFract="0.19158866"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07319"
                           xFract="0.24563863"
                           y3="6.35264"
                           yFract="0.75268246"
                           z3="8.43732"
                           zFract="0.37971737"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23179"
                           xFract="0.50139692"
                           y3="6.33153"
                           yFract="0.75018128"
                           z3="6.28189"
                           zFract="0.28271332"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44705"
                           xFract="0.76386848"
                           y3="4.33447"
                           yFract="0.5135628"
                           z3="6.2937"
                           zFract="0.28324482"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20025"
                           xFract="0.49765995"
                           y3="4.37021"
                           yFract="0.51779739"
                           z3="4.26071"
                           zFract="0.19175113"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13332"
                           xFract="0.48972986"
                           y3="4.22814"
                           yFract="0.50096445"
                           z3="8.5190"
                           zFract="0.38339334"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18876"
                           xFract="0.7332654"
                           y3="6.36021"
                           yFract="0.75357938"
                           z3="4.21377"
                           zFract="0.18963861"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4110"
                           xFract="0.75959716"
                           y3="6.33653"
                           yFract="0.7507737"
                           z3="8.43346"
                           zFract="0.37954365"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03626"
                           xFract="-0.00429621"
                           y3="4.18143"
                           yFract="0.49543009"
                           z3="9.90491"
                           zFract="0.44576553"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.00467"
                           xFract="0.00055332"
                           y3="6.40725"
                           yFract="0.75915284"
                           z3="8.44896"
                           zFract="0.38024122"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33424"
                           xFract="0.75050237"
                           y3="0.01216"
                           yFract="0.00144076"
                           z3="4.2301"
                           zFract="0.19037354"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00639"
                           xFract="0.00075711"
                           y3="2.07967"
                           yFract="0.2464064"
                           z3="8.4710"
                           zFract="0.38123312"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34715"
                           xFract="0.75203199"
                           y3="6.3339"
                           yFract="0.75046209"
                           z3="6.34409"
                           zFract="0.2855126"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20613"
                           xFract="0.49835664"
                           y3="6.34386"
                           yFract="0.75164218"
                           z3="4.21449"
                           zFract="0.18967102"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43248"
                           xFract="0.999109"
                           y3="0.01253"
                           yFract="0.0014846"
                           z3="6.32878"
                           zFract="0.28482358"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42588"
                           xFract="0.99832701"
                           y3="2.09437"
                           yFract="0.2481481"
                           z3="4.19131"
                           zFract="0.18862781"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11197"
                           xFract="0.25023341"
                           y3="4.18438"
                           yFract="0.49577962"
                           z3="8.39461"
                           zFract="0.37779523"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10714"
                           xFract="0.24966114"
                           y3="4.20855"
                           yFract="0.49864336"
                           z3="4.22372"
                           zFract="0.19008641"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08606"
                           xFract="0.24716351"
                           y3="6.34239"
                           yFract="0.75146801"
                           z3="6.3411"
                           zFract="0.28537804"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09494"
                           xFract="0.24821564"
                           y3="0.0067"
                           yFract="0.00079384"
                           z3="4.20569"
                           zFract="0.18927498"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24606"
                           xFract="0.50308768"
                           y3="0.04218"
                           yFract="0.00499763"
                           z3="6.29664"
                           zFract="0.28337714"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35024"
                           xFract="0.7523981"
                           y3="2.11795"
                           yFract="0.25094194"
                           z3="6.39629"
                           zFract="0.28786184"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.17315"
                           xFract="0.73141588"
                           y3="4.15497"
                           yFract="0.49229502"
                           z3="8.61577"
                           zFract="0.38774842"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25828"
                           xFract="0.50453555"
                           y3="2.1047"
                           yFract="0.24937204"
                           z3="8.60217"
                           zFract="0.38713636"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42606"
                           xFract="0.99834834"
                           y3="6.31826"
                           yFract="0.748609"
                           z3="4.22346"
                           zFract="0.19007471"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42465"
                           xFract="0.99818128"
                           y3="4.22573"
                           yFract="0.50067891"
                           z3="6.26904"
                           zFract="0.28213501"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2153"
                           xFract="0.49944313"
                           y3="2.1103"
                           yFract="0.25003555"
                           z3="4.17483"
                           zFract="0.18788614"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12185"
                           xFract="0.25140403"
                           y3="2.10171"
                           yFract="0.24901777"
                           z3="6.35912"
                           zFract="0.28618902"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35208"
                           xFract="0.75261611"
                           y3="4.1970"
                           yFract="0.49727488"
                           z3="4.22703"
                           zFract="0.19023537"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23645"
                           xFract="0.50194905"
                           y3="6.35333"
                           yFract="0.75276422"
                           z3="8.46721"
                           zFract="0.38106256"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29522"
                           xFract="0.50891232"
                           y3="4.17506"
                           yFract="0.49467536"
                           z3="6.36736"
                           zFract="0.28655986"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14451"
                           xFract="0.25408886"
                           y3="0.01691"
                           yFract="0.00200355"
                           z3="8.41927"
                           zFract="0.37890504"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31303"
                           xFract="0.74798934"
                           y3="0.03513"
                           yFract="0.00416232"
                           z3="8.48116"
                           zFract="0.38169037"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31694"
                           xFract="0.98541943"
                           y3="2.05984"
                           yFract="0.24405687"
                           z3="6.29754"
                           zFract="0.28341764"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13928"
                           xFract="0.25346919"
                           y3="8.41198"
                           yFract="0.99668009"
                           z3="6.27576"
                           zFract="0.28243744"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43843"
                           xFract="0.99981398"
                           y3="0.00983"
                           yFract="0.00116469"
                           z3="4.22787"
                           zFract="0.19027318"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43573"
                           xFract="0.99949408"
                           y3="0.02293"
                           yFract="0.00271682"
                           z3="8.38095"
                           zFract="0.37718047"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09064"
                           xFract="0.24770616"
                           y3="2.10685"
                           yFract="0.24962678"
                           z3="4.26526"
                           zFract="0.1919559"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00326"
                           xFract="0.23735308"
                           y3="2.07026"
                           yFract="0.24529147"
                           z3="8.45005"
                           zFract="0.38029028"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37386"
                           xFract="0.51822986"
                           y3="2.11179"
                           yFract="0.25021209"
                           z3="6.21079"
                           zFract="0.2795135"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33232"
                           xFract="0.75027488"
                           y3="8.3291"
                           yFract="0.98686019"
                           z3="6.28955"
                           zFract="0.28305806"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21011"
                           xFract="0.4988282"
                           y3="8.31624"
                           yFract="0.98533649"
                           z3="4.19839"
                           zFract="0.18894644"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23849"
                           xFract="0.50219076"
                           y3="0.00918"
                           yFract="0.00108768"
                           z3="8.45822"
                           zFract="0.38065797"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34181"
                           xFract="0.75139929"
                           y3="2.07339"
                           yFract="0.24566232"
                           z3="4.0812"
                           zFract="0.18367237"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.4985"
                           xFract="0.76996445"
                           y3="2.09522"
                           yFract="0.24824882"
                           z3="8.62828"
                           zFract="0.38831143"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41792"
                           xFract="0.99738389"
                           y3="6.39469"
                           yFract="0.75766469"
                           z3="6.32891"
                           zFract="0.28482943"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.98479"
                           xFract="0.23516469"
                           y3="4.25949"
                           yFract="0.50467891"
                           z3="6.33843"
                           zFract="0.28525788"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02889"
                           xFract="0.00342299"
                           y3="4.17923"
                           yFract="0.49516943"
                           z3="4.08834"
                           zFract="0.1839937"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15948"
                           xFract="0.01889573"
                           y3="4.16197"
                           yFract="0.49312441"
                           z3="8.93671"
                           zFract="0.40219217"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21238"
                           xFract="0.26213033"
                           y3="6.33083"
                           yFract="0.75009834"
                           z3="4.25686"
                           zFract="0.19157786"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07392"
                           xFract="0.24572512"
                           y3="6.35402"
                           yFract="0.75284597"
                           z3="8.43633"
                           zFract="0.37967282"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2318"
                           xFract="0.5013981"
                           y3="6.33174"
                           yFract="0.75020616"
                           z3="6.28203"
                           zFract="0.28271962"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44769"
                           xFract="0.76394431"
                           y3="4.33393"
                           yFract="0.51349882"
                           z3="6.29341"
                           zFract="0.28323177"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20022"
                           xFract="0.4976564"
                           y3="4.36998"
                           yFract="0.51777014"
                           z3="4.26047"
                           zFract="0.19174032"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13027"
                           xFract="0.48936848"
                           y3="4.22852"
                           yFract="0.50100948"
                           z3="8.51699"
                           zFract="0.38330288"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18848"
                           xFract="0.73323223"
                           y3="6.36013"
                           yFract="0.75356991"
                           z3="4.21395"
                           zFract="0.18964671"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41142"
                           xFract="0.75964692"
                           y3="6.33666"
                           yFract="0.7507891"
                           z3="8.43319"
                           zFract="0.3795315"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03657"
                           xFract="-0.00433294"
                           y3="4.18179"
                           yFract="0.49547275"
                           z3="9.92007"
                           zFract="0.44644779"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0045"
                           xFract="0.00053318"
                           y3="6.40105"
                           yFract="0.75841825"
                           z3="8.45488"
                           zFract="0.38050765"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3348"
                           xFract="0.75056872"
                           y3="0.01238"
                           yFract="0.00146682"
                           z3="4.23089"
                           zFract="0.19040909"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00783"
                           xFract="0.00092773"
                           y3="2.08118"
                           yFract="0.24658531"
                           z3="8.4760"
                           zFract="0.38145815"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34775"
                           xFract="0.75210308"
                           y3="6.33469"
                           yFract="0.75055569"
                           z3="6.34585"
                           zFract="0.28559181"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20696"
                           xFract="0.49845498"
                           y3="6.34296"
                           yFract="0.75153555"
                           z3="4.21515"
                           zFract="0.18970072"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43292"
                           xFract="0.99916114"
                           y3="0.01329"
                           yFract="0.00157464"
                           z3="6.33274"
                           zFract="0.2850018"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42621"
                           xFract="0.99836611"
                           y3="2.09536"
                           yFract="0.2482654"
                           z3="4.19269"
                           zFract="0.18868992"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10921"
                           xFract="0.2499064"
                           y3="4.18396"
                           yFract="0.49572986"
                           z3="8.39615"
                           zFract="0.37786454"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10575"
                           xFract="0.24949645"
                           y3="4.20823"
                           yFract="0.49860545"
                           z3="4.22231"
                           zFract="0.19002295"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08579"
                           xFract="0.24713152"
                           y3="6.34229"
                           yFract="0.75145616"
                           z3="6.33946"
                           zFract="0.28530423"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09475"
                           xFract="0.24819313"
                           y3="0.00679"
                           yFract="0.0008045"
                           z3="4.20515"
                           zFract="0.18925068"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24618"
                           xFract="0.5031019"
                           y3="0.04204"
                           yFract="0.00498104"
                           z3="6.29548"
                           zFract="0.28332493"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35054"
                           xFract="0.75243365"
                           y3="2.11813"
                           yFract="0.25096327"
                           z3="6.3975"
                           zFract="0.28791629"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.17716"
                           xFract="0.731891"
                           y3="4.14934"
                           yFract="0.49162796"
                           z3="8.61327"
                           zFract="0.38763591"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25729"
                           xFract="0.50441825"
                           y3="2.10717"
                           yFract="0.24966469"
                           z3="8.60205"
                           zFract="0.38713096"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42639"
                           xFract="0.99838744"
                           y3="6.31907"
                           yFract="0.74870498"
                           z3="4.22319"
                           zFract="0.19006256"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42442"
                           xFract="0.99815403"
                           y3="4.22898"
                           yFract="0.50106398"
                           z3="6.27578"
                           zFract="0.28243834"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21539"
                           xFract="0.49945379"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="4.17607"
                           zFract="0.18794194"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12177"
                           xFract="0.25139455"
                           y3="2.10033"
                           yFract="0.24885427"
                           z3="6.35745"
                           zFract="0.28611386"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35348"
                           xFract="0.75278199"
                           y3="4.19695"
                           yFract="0.49726896"
                           z3="4.22633"
                           zFract="0.19020387"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23595"
                           xFract="0.50188981"
                           y3="6.34878"
                           yFract="0.75222512"
                           z3="8.4674"
                           zFract="0.38107111"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.29302"
                           xFract="0.50865166"
                           y3="4.17595"
                           yFract="0.49478081"
                           z3="6.37021"
                           zFract="0.28668812"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14193"
                           xFract="0.25378318"
                           y3="0.01592"
                           yFract="0.00188626"
                           z3="8.42037"
                           zFract="0.37895455"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3183"
                           xFract="0.74861374"
                           y3="0.03501"
                           yFract="0.0041481"
                           z3="8.48296"
                           zFract="0.38177138"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31791"
                           xFract="0.98553436"
                           y3="2.06421"
                           yFract="0.24457464"
                           z3="6.30141"
                           zFract="0.28359181"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13853"
                           xFract="0.25338033"
                           y3="8.41226"
                           yFract="0.99671327"
                           z3="6.27337"
                           zFract="0.28232988"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43798"
                           xFract="0.99976066"
                           y3="0.0099"
                           yFract="0.00117299"
                           z3="4.22764"
                           zFract="0.19026283"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.4353"
                           xFract="0.99944313"
                           y3="0.02535"
                           yFract="0.00300355"
                           z3="8.38009"
                           zFract="0.37714176"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09047"
                           xFract="0.24768602"
                           y3="2.10673"
                           yFract="0.24961256"
                           z3="4.26542"
                           zFract="0.1919631"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00639"
                           xFract="0.23772393"
                           y3="2.07233"
                           yFract="0.24553673"
                           z3="8.44698"
                           zFract="0.38015212"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37437"
                           xFract="0.51829028"
                           y3="2.11087"
                           yFract="0.25010308"
                           z3="6.2118"
                           zFract="0.27955896"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3336"
                           xFract="0.75042654"
                           y3="8.33084"
                           yFract="0.98706635"
                           z3="6.28898"
                           zFract="0.2830324"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21069"
                           xFract="0.49889692"
                           y3="8.31741"
                           yFract="0.98547512"
                           z3="4.19842"
                           zFract="0.18894779"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24102"
                           xFract="0.50249052"
                           y3="0.01066"
                           yFract="0.00126303"
                           z3="8.45787"
                           zFract="0.38064221"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34221"
                           xFract="0.75144668"
                           y3="2.07306"
                           yFract="0.24562322"
                           z3="4.08108"
                           zFract="0.18366697"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50014"
                           xFract="0.77015877"
                           y3="2.09724"
                           yFract="0.24848815"
                           z3="8.63181"
                           zFract="0.3884703"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41817"
                           xFract="0.99741351"
                           y3="6.39086"
                           yFract="0.7572109"
                           z3="6.32921"
                           zFract="0.28484293"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.98268"
                           xFract="0.23491469"
                           y3="4.25835"
                           yFract="0.50454384"
                           z3="6.34305"
                           zFract="0.2854658"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02791"
                           xFract="0.00330687"
                           y3="4.18036"
                           yFract="0.49530332"
                           z3="4.09138"
                           zFract="0.18413051"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15644"
                           xFract="0.01853555"
                           y3="4.16108"
                           yFract="0.49301896"
                           z3="8.95569"
                           zFract="0.40304635"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21306"
                           xFract="0.2622109"
                           y3="6.33112"
                           yFract="0.7501327"
                           z3="4.25629"
                           zFract="0.19155221"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07468"
                           xFract="0.24581517"
                           y3="6.35564"
                           yFract="0.75303791"
                           z3="8.43498"
                           zFract="0.37961206"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23199"
                           xFract="0.50142062"
                           y3="6.33314"
                           yFract="0.75037204"
                           z3="6.28163"
                           zFract="0.28270162"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44871"
                           xFract="0.76406517"
                           y3="4.33277"
                           yFract="0.51336137"
                           z3="6.29313"
                           zFract="0.28321917"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19979"
                           xFract="0.49760545"
                           y3="4.3696"
                           yFract="0.51772512"
                           z3="4.25975"
                           zFract="0.19170792"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12263"
                           xFract="0.48846327"
                           y3="4.22928"
                           yFract="0.50109953"
                           z3="8.51149"
                           zFract="0.38305536"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18759"
                           xFract="0.73312678"
                           y3="6.36023"
                           yFract="0.75358175"
                           z3="4.21459"
                           zFract="0.18967552"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41229"
                           xFract="0.75975"
                           y3="6.3358"
                           yFract="0.7506872"
                           z3="8.4329"
                           zFract="0.37951845"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03746"
                           xFract="-0.00443839"
                           y3="4.18281"
                           yFract="0.4955936"
                           z3="9.96267"
                           zFract="0.44836499"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.00404"
                           xFract="0.00047867"
                           y3="6.38362"
                           yFract="0.75635308"
                           z3="8.47151"
                           zFract="0.38125608"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33638"
                           xFract="0.75075592"
                           y3="0.01301"
                           yFract="0.00154147"
                           z3="4.23311"
                           zFract="0.190509"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01187"
                           xFract="0.0014064"
                           y3="2.08541"
                           yFract="0.24708649"
                           z3="8.49005"
                           zFract="0.38209046"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34942"
                           xFract="0.75230095"
                           y3="6.33693"
                           yFract="0.75082109"
                           z3="6.35083"
                           zFract="0.28581593"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20932"
                           xFract="0.4987346"
                           y3="6.34043"
                           yFract="0.75123578"
                           z3="4.21702"
                           zFract="0.18978488"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43416"
                           xFract="0.99930806"
                           y3="0.01544"
                           yFract="0.00182938"
                           z3="6.34389"
                           zFract="0.2855036"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42715"
                           xFract="0.99847749"
                           y3="2.09817"
                           yFract="0.24859834"
                           z3="4.19659"
                           zFract="0.18886544"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10146"
                           xFract="0.24898815"
                           y3="4.18279"
                           yFract="0.49559123"
                           z3="8.40048"
                           zFract="0.37805941"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10184"
                           xFract="0.24903318"
                           y3="4.20733"
                           yFract="0.49849882"
                           z3="4.21836"
                           zFract="0.18984518"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08503"
                           xFract="0.24704147"
                           y3="6.34201"
                           yFract="0.75142299"
                           z3="6.33487"
                           zFract="0.28509766"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09424"
                           xFract="0.2481327"
                           y3="0.00704"
                           yFract="0.00083412"
                           z3="4.20362"
                           zFract="0.18918182"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24652"
                           xFract="0.50314218"
                           y3="0.04166"
                           yFract="0.00493602"
                           z3="6.29225"
                           zFract="0.28317957"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35137"
                           xFract="0.75253199"
                           y3="2.11865"
                           yFract="0.25102488"
                           z3="6.40091"
                           zFract="0.28806976"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.18844"
                           xFract="0.73322749"
                           y3="4.13352"
                           yFract="0.48975355"
                           z3="8.60626"
                           zFract="0.38732043"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2545"
                           xFract="0.50408768"
                           y3="2.11409"
                           yFract="0.2504846"
                           z3="8.6017"
                           zFract="0.38711521"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42732"
                           xFract="0.99849763"
                           y3="6.32135"
                           yFract="0.74897512"
                           z3="4.22241"
                           zFract="0.19002745"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42377"
                           xFract="0.99807701"
                           y3="4.23813"
                           yFract="0.5021481"
                           z3="6.29473"
                           zFract="0.28329118"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21564"
                           xFract="0.49948341"
                           y3="2.10733"
                           yFract="0.24968365"
                           z3="4.17957"
                           zFract="0.18809946"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12154"
                           xFract="0.2513673"
                           y3="2.09644"
                           yFract="0.24839336"
                           z3="6.35276"
                           zFract="0.28590279"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35744"
                           xFract="0.75325118"
                           y3="4.19682"
                           yFract="0.49725355"
                           z3="4.22435"
                           zFract="0.19011476"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23454"
                           xFract="0.50172275"
                           y3="6.33599"
                           yFract="0.75070972"
                           z3="8.46794"
                           zFract="0.38109541"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28683"
                           xFract="0.50791825"
                           y3="4.17843"
                           yFract="0.49507464"
                           z3="6.3782"
                           zFract="0.2870477"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13469"
                           xFract="0.25292536"
                           y3="0.01314"
                           yFract="0.00155687"
                           z3="8.42348"
                           zFract="0.37909451"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33314"
                           xFract="0.75037204"
                           y3="0.03467"
                           yFract="0.00410782"
                           z3="8.48799"
                           zFract="0.38199775"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.32065"
                           xFract="0.985859"
                           y3="2.07652"
                           yFract="0.24603318"
                           z3="6.31227"
                           zFract="0.28408056"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13645"
                           xFract="0.25313389"
                           y3="8.41305"
                           yFract="0.99680687"
                           z3="6.26667"
                           zFract="0.28202835"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43674"
                           xFract="0.99961374"
                           y3="0.01009"
                           yFract="0.0011955"
                           z3="4.22699"
                           zFract="0.19023357"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.4341"
                           xFract="0.99930095"
                           y3="0.03216"
                           yFract="0.00381043"
                           z3="8.37768"
                           zFract="0.3770333"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08997"
                           xFract="0.24762678"
                           y3="2.10638"
                           yFract="0.24957109"
                           z3="4.26585"
                           zFract="0.19198245"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01519"
                           xFract="0.23876659"
                           y3="2.07814"
                           yFract="0.24622512"
                           z3="8.43835"
                           zFract="0.37976373"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37581"
                           xFract="0.5184609"
                           y3="2.10831"
                           yFract="0.24979976"
                           z3="6.21463"
                           zFract="0.27968632"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3372"
                           xFract="0.75085308"
                           y3="8.33572"
                           yFract="0.98764455"
                           z3="6.28736"
                           zFract="0.2829595"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21233"
                           xFract="0.49909123"
                           y3="8.32072"
                           yFract="0.9858673"
                           z3="4.19853"
                           zFract="0.18895275"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24815"
                           xFract="0.50333531"
                           y3="0.01482"
                           yFract="0.00175592"
                           z3="8.45691"
                           zFract="0.38059901"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34336"
                           xFract="0.75158294"
                           y3="2.07212"
                           yFract="0.24551185"
                           z3="4.08074"
                           zFract="0.18365167"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50477"
                           xFract="0.77070735"
                           y3="2.10293"
                           yFract="0.24916232"
                           z3="8.64175"
                           zFract="0.38891764"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41886"
                           xFract="0.99749526"
                           y3="6.38011"
                           yFract="0.7559372"
                           z3="6.33006"
                           zFract="0.28488119"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.97677"
                           xFract="0.23421445"
                           y3="4.25513"
                           yFract="0.50416232"
                           z3="6.35605"
                           zFract="0.28605086"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02514"
                           xFract="0.00297867"
                           y3="4.18356"
                           yFract="0.49568246"
                           z3="4.09991"
                           zFract="0.1845144"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14791"
                           xFract="0.01752488"
                           y3="4.15857"
                           yFract="0.49272156"
                           z3="9.00904"
                           zFract="0.40544734"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21498"
                           xFract="0.26243839"
                           y3="6.33197"
                           yFract="0.75023341"
                           z3="4.25469"
                           zFract="0.1914802"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07682"
                           xFract="0.24606872"
                           y3="6.36018"
                           yFract="0.75357583"
                           z3="8.43119"
                           zFract="0.37944149"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23254"
                           xFract="0.50148578"
                           y3="6.33709"
                           yFract="0.75084005"
                           z3="6.2805"
                           zFract="0.28265077"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.45158"
                           xFract="0.76440521"
                           y3="4.32948"
                           yFract="0.51297156"
                           z3="6.29232"
                           zFract="0.28318272"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19857"
                           xFract="0.4974609"
                           y3="4.36855"
                           yFract="0.51760071"
                           z3="4.25774"
                           zFract="0.19161746"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10117"
                           xFract="0.48592062"
                           y3="4.23142"
                           yFract="0.50135308"
                           z3="8.49602"
                           zFract="0.38235914"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18511"
                           xFract="0.73283294"
                           y3="6.36052"
                           yFract="0.75361611"
                           z3="4.21638"
                           zFract="0.18975608"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41473"
                           xFract="0.7600391"
                           y3="6.33336"
                           yFract="0.7503981"
                           z3="8.43209"
                           zFract="0.379482"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03795"
                           xFract="-0.00449645"
                           y3="4.18256"
                           yFract="0.49556398"
                           z3="9.97531"
                           zFract="0.44893384"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.00295"
                           xFract="0.00034953"
                           y3="6.3809"
                           yFract="0.75603081"
                           z3="8.47309"
                           zFract="0.38132718"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33735"
                           xFract="0.75087085"
                           y3="0.0133"
                           yFract="0.00157583"
                           z3="4.2335"
                           zFract="0.19052655"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01284"
                           xFract="0.00152133"
                           y3="2.08258"
                           yFract="0.24675118"
                           z3="8.49299"
                           zFract="0.38222277"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34916"
                           xFract="0.75227014"
                           y3="6.33703"
                           yFract="0.75083294"
                           z3="6.35023"
                           zFract="0.28578893"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20954"
                           xFract="0.49876066"
                           y3="6.34049"
                           yFract="0.75124289"
                           z3="4.21612"
                           zFract="0.18974437"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43424"
                           xFract="0.99931754"
                           y3="0.0155"
                           yFract="0.00183649"
                           z3="6.34294"
                           zFract="0.28546085"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42666"
                           xFract="0.99841943"
                           y3="2.09884"
                           yFract="0.24867773"
                           z3="4.19984"
                           zFract="0.1890117"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10276"
                           xFract="0.24914218"
                           y3="4.1832"
                           yFract="0.49563981"
                           z3="8.40064"
                           zFract="0.37806661"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10107"
                           xFract="0.24894194"
                           y3="4.20732"
                           yFract="0.49849763"
                           z3="4.22001"
                           zFract="0.18991944"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08493"
                           xFract="0.24702962"
                           y3="6.34228"
                           yFract="0.75145498"
                           z3="6.33378"
                           zFract="0.2850486"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09354"
                           xFract="0.24804976"
                           y3="0.00699"
                           yFract="0.0008282"
                           z3="4.2027"
                           zFract="0.18914041"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24709"
                           xFract="0.50320972"
                           y3="0.04128"
                           yFract="0.004891"
                           z3="6.29409"
                           zFract="0.28326238"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35131"
                           xFract="0.75252488"
                           y3="2.11897"
                           yFract="0.2510628"
                           z3="6.4014"
                           zFract="0.28809181"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.18951"
                           xFract="0.73335427"
                           y3="4.13102"
                           yFract="0.48945735"
                           z3="8.6055"
                           zFract="0.38728623"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2533"
                           xFract="0.5039455"
                           y3="2.11572"
                           yFract="0.25067773"
                           z3="8.60063"
                           zFract="0.38706706"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42706"
                           xFract="0.99846682"
                           y3="6.32193"
                           yFract="0.74904384"
                           z3="4.22375"
                           zFract="0.19008776"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.42261"
                           xFract="0.99793957"
                           y3="4.23868"
                           yFract="0.50221327"
                           z3="6.2994"
                           zFract="0.28350135"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21649"
                           xFract="0.49958412"
                           y3="2.10763"
                           yFract="0.24971919"
                           z3="4.1801"
                           zFract="0.18812331"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12165"
                           xFract="0.25138033"
                           y3="2.09607"
                           yFract="0.24834953"
                           z3="6.35129"
                           zFract="0.28583663"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35777"
                           xFract="0.75329028"
                           y3="4.19696"
                           yFract="0.49727014"
                           z3="4.22564"
                           zFract="0.19017282"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23562"
                           xFract="0.50185071"
                           y3="6.33396"
                           yFract="0.75046919"
                           z3="8.46777"
                           zFract="0.38108776"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28497"
                           xFract="0.50769787"
                           y3="4.17788"
                           yFract="0.49500948"
                           z3="6.38014"
                           zFract="0.28713501"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13338"
                           xFract="0.25277014"
                           y3="0.01333"
                           yFract="0.00157938"
                           z3="8.4224"
                           zFract="0.3790459"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33499"
                           xFract="0.75059123"
                           y3="0.03385"
                           yFract="0.00401066"
                           z3="8.48858"
                           zFract="0.3820243"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.32085"
                           xFract="0.9858827"
                           y3="2.0774"
                           yFract="0.24613744"
                           z3="6.31421"
                           zFract="0.28416787"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13638"
                           xFract="0.25312559"
                           y3="8.41325"
                           yFract="0.99683057"
                           z3="6.26791"
                           zFract="0.28208416"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43665"
                           xFract="0.99960308"
                           y3="0.00965"
                           yFract="0.00114336"
                           z3="4.22919"
                           zFract="0.19033258"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.4342"
                           xFract="0.9993128"
                           y3="0.03439"
                           yFract="0.00407464"
                           z3="8.37832"
                           zFract="0.37706211"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09022"
                           xFract="0.2476564"
                           y3="2.10708"
                           yFract="0.24965403"
                           z3="4.2660"
                           zFract="0.1919892"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01529"
                           xFract="0.23877844"
                           y3="2.08064"
                           yFract="0.24652133"
                           z3="8.43836"
                           zFract="0.37976418"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.37694"
                           xFract="0.51859479"
                           y3="2.10874"
                           yFract="0.24985071"
                           z3="6.2145"
                           zFract="0.27968047"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33805"
                           xFract="0.75095379"
                           y3="8.33658"
                           yFract="0.98774645"
                           z3="6.28805"
                           zFract="0.28299055"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21254"
                           xFract="0.49911611"
                           y3="8.32066"
                           yFract="0.98586019"
                           z3="4.19776"
                           zFract="0.18891809"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2507"
                           xFract="0.50363744"
                           y3="0.01518"
                           yFract="0.00179858"
                           z3="8.4565"
                           zFract="0.38058056"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34291"
                           xFract="0.75152962"
                           y3="2.07187"
                           yFract="0.24548223"
                           z3="4.08063"
                           zFract="0.18364671"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50452"
                           xFract="0.77067773"
                           y3="2.10519"
                           yFract="0.24943009"
                           z3="8.64501"
                           zFract="0.38906436"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41975"
                           xFract="0.99760071"
                           y3="6.38084"
                           yFract="0.7560237"
                           z3="6.3312"
                           zFract="0.28493249"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.97599"
                           xFract="0.23412204"
                           y3="4.25529"
                           yFract="0.50418128"
                           z3="6.35867"
                           zFract="0.28616877"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02569"
                           xFract="0.00304384"
                           y3="4.18468"
                           yFract="0.49581517"
                           z3="4.10107"
                           zFract="0.18456661"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14736"
                           xFract="0.01745972"
                           y3="4.1598"
                           yFract="0.4928673"
                           z3="9.01657"
                           zFract="0.40578623"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21568"
                           xFract="0.26252133"
                           y3="6.33088"
                           yFract="0.75010427"
                           z3="4.25479"
                           zFract="0.1914847"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07467"
                           xFract="0.24581398"
                           y3="6.35826"
                           yFract="0.75334834"
                           z3="8.43272"
                           zFract="0.37951035"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23274"
                           xFract="0.50150948"
                           y3="6.33828"
                           yFract="0.75098104"
                           z3="6.27891"
                           zFract="0.28257921"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44998"
                           xFract="0.76421564"
                           y3="4.32954"
                           yFract="0.51297867"
                           z3="6.29349"
                           zFract="0.28323537"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19791"
                           xFract="0.4973827"
                           y3="4.36797"
                           yFract="0.51753199"
                           z3="4.2590"
                           zFract="0.19167417"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10254"
                           xFract="0.48608294"
                           y3="4.23152"
                           yFract="0.50136493"
                           z3="8.4942"
                           zFract="0.38227723"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1848"
                           xFract="0.73279621"
                           y3="6.36071"
                           yFract="0.75363863"
                           z3="4.21684"
                           zFract="0.18977678"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4142"
                           xFract="0.7599763"
                           y3="6.33057"
                           yFract="0.75006754"
                           z3="8.43314"
                           zFract="0.37952925"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03938"
                           xFract="-0.00466588"
                           y3="4.18186"
                           yFract="0.49548104"
                           z3="10.0118"
                           zFract="0.45057606"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00018"
                           xFract="-0.00002133"
                           y3="6.37304"
                           yFract="0.75509953"
                           z3="8.47765"
                           zFract="0.3815324"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34014"
                           xFract="0.75120142"
                           y3="0.01415"
                           yFract="0.00167654"
                           z3="4.23463"
                           zFract="0.19057741"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01561"
                           xFract="0.00184953"
                           y3="2.07442"
                           yFract="0.24578436"
                           z3="8.50149"
                           zFract="0.38260531"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3484"
                           xFract="0.75218009"
                           y3="6.33732"
                           yFract="0.7508673"
                           z3="6.34851"
                           zFract="0.28571152"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21019"
                           xFract="0.49883768"
                           y3="6.34066"
                           yFract="0.75126303"
                           z3="4.21353"
                           zFract="0.18962781"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43445"
                           xFract="0.99934242"
                           y3="0.01568"
                           yFract="0.00185782"
                           z3="6.34021"
                           zFract="0.28533798"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42525"
                           xFract="0.99825237"
                           y3="2.10078"
                           yFract="0.24890758"
                           z3="4.20925"
                           zFract="0.18943519"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10653"
                           xFract="0.24958886"
                           y3="4.18437"
                           yFract="0.49577844"
                           z3="8.40111"
                           zFract="0.37808776"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09885"
                           xFract="0.24867891"
                           y3="4.20729"
                           yFract="0.49849408"
                           z3="4.22479"
                           zFract="0.19013456"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08464"
                           xFract="0.24699526"
                           y3="6.34306"
                           yFract="0.75154739"
                           z3="6.33063"
                           zFract="0.28490684"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09152"
                           xFract="0.24781043"
                           y3="0.00686"
                           yFract="0.0008128"
                           z3="4.20007"
                           zFract="0.18902205"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24872"
                           xFract="0.50340284"
                           y3="0.04017"
                           yFract="0.00475948"
                           z3="6.29941"
                           zFract="0.2835018"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35117"
                           xFract="0.75250829"
                           y3="2.11989"
                           yFract="0.2511718"
                           z3="6.4028"
                           zFract="0.28815482"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.19261"
                           xFract="0.73372156"
                           y3="4.1238"
                           yFract="0.4886019"
                           z3="8.60333"
                           zFract="0.38718857"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24986"
                           xFract="0.50353791"
                           y3="2.12043"
                           yFract="0.25123578"
                           z3="8.59756"
                           zFract="0.38692889"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42631"
                           xFract="0.99837796"
                           y3="6.32361"
                           yFract="0.74924289"
                           z3="4.22762"
                           zFract="0.19026193"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41925"
                           xFract="0.99754147"
                           y3="4.24026"
                           yFract="0.50240047"
                           z3="6.31288"
                           zFract="0.28410801"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21895"
                           xFract="0.49987559"
                           y3="2.10848"
                           yFract="0.24981991"
                           z3="4.18163"
                           zFract="0.18819217"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12199"
                           xFract="0.25142062"
                           y3="2.0950"
                           yFract="0.24822275"
                           z3="6.34704"
                           zFract="0.28564536"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35873"
                           xFract="0.75340403"
                           y3="4.19736"
                           yFract="0.49731754"
                           z3="4.22936"
                           zFract="0.19034023"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23875"
                           xFract="0.50222156"
                           y3="6.3281"
                           yFract="0.74977488"
                           z3="8.4673"
                           zFract="0.38106661"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27961"
                           xFract="0.5070628"
                           y3="4.17629"
                           yFract="0.49482109"
                           z3="6.38575"
                           zFract="0.28738749"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1296"
                           xFract="0.25232227"
                           y3="0.01389"
                           yFract="0.00164573"
                           z3="8.41927"
                           zFract="0.37890504"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34035"
                           xFract="0.7512263"
                           y3="0.03148"
                           yFract="0.00372986"
                           z3="8.49027"
                           zFract="0.38210036"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.32142"
                           xFract="0.98595024"
                           y3="2.07994"
                           yFract="0.24643839"
                           z3="6.31981"
                           zFract="0.28441989"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13619"
                           xFract="0.25310308"
                           y3="8.41385"
                           yFract="0.99690166"
                           z3="6.2715"
                           zFract="0.28224572"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43639"
                           xFract="0.99957227"
                           y3="0.00841"
                           yFract="0.00099645"
                           z3="4.23553"
                           zFract="0.19061791"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43448"
                           xFract="0.99934597"
                           y3="0.04081"
                           yFract="0.00483531"
                           z3="8.3802"
                           zFract="0.37714671"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09097"
                           xFract="0.24774526"
                           y3="2.1091"
                           yFract="0.24989336"
                           z3="4.26642"
                           zFract="0.1920081"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01556"
                           xFract="0.23881043"
                           y3="2.08785"
                           yFract="0.24737559"
                           z3="8.43838"
                           zFract="0.37976508"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3802"
                           xFract="0.51898104"
                           y3="2.10998"
                           yFract="0.24999763"
                           z3="6.21414"
                           zFract="0.27966427"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34052"
                           xFract="0.75124645"
                           y3="8.33906"
                           yFract="0.98804028"
                           z3="6.29003"
                           zFract="0.28307966"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21317"
                           xFract="0.49919076"
                           y3="8.32049"
                           yFract="0.98584005"
                           z3="4.19553"
                           zFract="0.18881773"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25806"
                           xFract="0.50450948"
                           y3="0.0162"
                           yFract="0.00191943"
                           z3="8.45532"
                           zFract="0.38052745"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34162"
                           xFract="0.75137678"
                           y3="2.07116"
                           yFract="0.2453981"
                           z3="4.08033"
                           zFract="0.18363321"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.5038"
                           xFract="0.77059242"
                           y3="2.11171"
                           yFract="0.25020261"
                           z3="8.65441"
                           zFract="0.3894874"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42233"
                           xFract="0.9979064"
                           y3="6.38296"
                           yFract="0.75627488"
                           z3="6.33449"
                           zFract="0.28508056"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.97372"
                           xFract="0.23385308"
                           y3="4.25578"
                           yFract="0.50423934"
                           z3="6.36624"
                           zFract="0.28650945"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02727"
                           xFract="0.00323104"
                           y3="4.18791"
                           yFract="0.49619787"
                           z3="4.10443"
                           zFract="0.18471782"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14577"
                           xFract="0.01727133"
                           y3="4.16335"
                           yFract="0.49328791"
                           z3="9.03833"
                           zFract="0.40676553"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21771"
                           xFract="0.26276185"
                           y3="6.32774"
                           yFract="0.74973223"
                           z3="4.25509"
                           zFract="0.1914982"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06845"
                           xFract="0.24507701"
                           y3="6.35271"
                           yFract="0.75269076"
                           z3="8.43712"
                           zFract="0.37970837"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23333"
                           xFract="0.50157938"
                           y3="6.34174"
                           yFract="0.751391"
                           z3="6.27432"
                           zFract="0.28237264"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44537"
                           xFract="0.76366943"
                           y3="4.3297"
                           yFract="0.51299763"
                           z3="6.29687"
                           zFract="0.28338749"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1960"
                           xFract="0.4971564"
                           y3="4.36629"
                           yFract="0.51733294"
                           z3="4.26264"
                           zFract="0.19183798"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10649"
                           xFract="0.48655095"
                           y3="4.2318"
                           yFract="0.5013981"
                           z3="8.48895"
                           zFract="0.38204095"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18392"
                           xFract="0.73269194"
                           y3="6.36124"
                           yFract="0.75370142"
                           z3="4.21817"
                           zFract="0.18983663"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41267"
                           xFract="0.75979502"
                           y3="6.32254"
                           yFract="0.74911611"
                           z3="8.43617"
                           zFract="0.37966562"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03883"
                           xFract="-0.00460071"
                           y3="4.18156"
                           yFract="0.4954455"
                           z3="10.01593"
                           zFract="0.45076193"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00094"
                           xFract="-0.00011137"
                           y3="6.37143"
                           yFract="0.75490877"
                           z3="8.47834"
                           zFract="0.38156346"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3406"
                           xFract="0.75125592"
                           y3="0.01429"
                           yFract="0.00169313"
                           z3="4.23482"
                           zFract="0.19058596"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01581"
                           xFract="0.00187322"
                           y3="2.0729"
                           yFract="0.24560427"
                           z3="8.50332"
                           zFract="0.38268767"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34816"
                           xFract="0.75215166"
                           y3="6.33735"
                           yFract="0.75087085"
                           z3="6.3481"
                           zFract="0.28569307"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21022"
                           xFract="0.49884123"
                           y3="6.34068"
                           yFract="0.7512654"
                           z3="4.21298"
                           zFract="0.18960306"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43448"
                           xFract="0.99934597"
                           y3="0.01573"
                           yFract="0.00186374"
                           z3="6.33959"
                           zFract="0.28531008"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42487"
                           xFract="0.99820735"
                           y3="2.10126"
                           yFract="0.24896445"
                           z3="4.21127"
                           zFract="0.1895261"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10717"
                           xFract="0.24966469"
                           y3="4.1848"
                           yFract="0.49582938"
                           z3="8.40156"
                           zFract="0.37810801"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09846"
                           xFract="0.2486327"
                           y3="4.20733"
                           yFract="0.49849882"
                           z3="4.22604"
                           zFract="0.19019082"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08461"
                           xFract="0.24699171"
                           y3="6.34322"
                           yFract="0.75156635"
                           z3="6.33031"
                           zFract="0.28489244"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09121"
                           xFract="0.2477737"
                           y3="0.00682"
                           yFract="0.00080806"
                           z3="4.19959"
                           zFract="0.18900045"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24917"
                           xFract="0.50345616"
                           y3="0.03997"
                           yFract="0.00473578"
                           z3="6.30071"
                           zFract="0.28356031"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35123"
                           xFract="0.7525154"
                           y3="2.12011"
                           yFract="0.25119787"
                           z3="6.4032"
                           zFract="0.28817282"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.19336"
                           xFract="0.73381043"
                           y3="4.12252"
                           yFract="0.48845024"
                           z3="8.60308"
                           zFract="0.38717732"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24915"
                           xFract="0.50345379"
                           y3="2.12119"
                           yFract="0.25132583"
                           z3="8.59684"
                           zFract="0.38689649"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4261"
                           xFract="0.99835308"
                           y3="6.32381"
                           yFract="0.74926659"
                           z3="4.22852"
                           zFract="0.19030243"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41841"
                           xFract="0.99744194"
                           y3="4.24037"
                           yFract="0.50241351"
                           z3="6.3157"
                           zFract="0.28423492"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21953"
                           xFract="0.49994431"
                           y3="2.10876"
                           yFract="0.24985308"
                           z3="4.18185"
                           zFract="0.18820207"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12208"
                           xFract="0.25143128"
                           y3="2.09496"
                           yFract="0.24821801"
                           z3="6.34634"
                           zFract="0.28561386"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35883"
                           xFract="0.75341588"
                           y3="4.19749"
                           yFract="0.49733294"
                           z3="4.23035"
                           zFract="0.19038479"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23955"
                           xFract="0.50231635"
                           y3="6.32736"
                           yFract="0.7496872"
                           z3="8.46715"
                           zFract="0.38105986"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2785"
                           xFract="0.50693128"
                           y3="4.1759"
                           yFract="0.49477488"
                           z3="6.38657"
                           zFract="0.28742439"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12915"
                           xFract="0.25226896"
                           y3="0.0140"
                           yFract="0.00165877"
                           z3="8.41846"
                           zFract="0.37886859"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3411"
                           xFract="0.75131517"
                           y3="0.03099"
                           yFract="0.0036718"
                           z3="8.49054"
                           zFract="0.38211251"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.32139"
                           xFract="0.98594668"
                           y3="2.08021"
                           yFract="0.24647038"
                           z3="6.32083"
                           zFract="0.2844658"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13628"
                           xFract="0.25311374"
                           y3="8.41398"
                           yFract="0.99691706"
                           z3="6.27245"
                           zFract="0.28228848"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43646"
                           xFract="0.99958057"
                           y3="0.00824"
                           yFract="0.0009763"
                           z3="4.23703"
                           zFract="0.19068542"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.4346"
                           xFract="0.99936019"
                           y3="0.04203"
                           yFract="0.00497986"
                           z3="8.38071"
                           zFract="0.37716967"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09112"
                           xFract="0.24776303"
                           y3="2.10946"
                           yFract="0.24993602"
                           z3="4.26653"
                           zFract="0.19201305"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0154"
                           xFract="0.23879147"
                           y3="2.08905"
                           yFract="0.24751777"
                           z3="8.43859"
                           zFract="0.37977453"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38088"
                           xFract="0.51906161"
                           y3="2.11021"
                           yFract="0.25002488"
                           z3="6.21401"
                           zFract="0.27965842"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3410"
                           xFract="0.75130332"
                           y3="8.33953"
                           yFract="0.98809597"
                           z3="6.29058"
                           zFract="0.28310441"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21325"
                           xFract="0.49920024"
                           y3="8.3204"
                           yFract="0.98582938"
                           z3="4.19514"
                           zFract="0.18880018"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25949"
                           xFract="0.50467891"
                           y3="0.01619"
                           yFract="0.00191825"
                           z3="8.45504"
                           zFract="0.38051485"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34138"
                           xFract="0.75134834"
                           y3="2.07109"
                           yFract="0.24538981"
                           z3="4.08022"
                           zFract="0.18362826"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50375"
                           xFract="0.77058649"
                           y3="2.11278"
                           yFract="0.25032938"
                           z3="8.65661"
                           zFract="0.38958641"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4228"
                           xFract="0.99796209"
                           y3="6.38387"
                           yFract="0.7563827"
                           z3="6.3354"
                           zFract="0.28512151"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.97329"
                           xFract="0.23380213"
                           y3="4.25599"
                           yFract="0.50426422"
                           z3="6.36745"
                           zFract="0.28656391"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02761"
                           xFract="0.00327133"
                           y3="4.18854"
                           yFract="0.49627251"
                           z3="4.10505"
                           zFract="0.18474572"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14505"
                           xFract="0.01718602"
                           y3="4.16435"
                           yFract="0.4934064"
                           z3="9.04629"
                           zFract="0.40712376"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2181"
                           xFract="0.26280806"
                           y3="6.32714"
                           yFract="0.74966114"
                           z3="4.25519"
                           zFract="0.1915027"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06707"
                           xFract="0.24491351"
                           y3="6.35143"
                           yFract="0.7525391"
                           z3="8.43823"
                           zFract="0.37975833"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23339"
                           xFract="0.50158649"
                           y3="6.34242"
                           yFract="0.75147156"
                           z3="6.2733"
                           zFract="0.28232673"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4442"
                           xFract="0.76353081"
                           y3="4.32982"
                           yFract="0.51301185"
                           z3="6.2977"
                           zFract="0.28342484"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19564"
                           xFract="0.49711374"
                           y3="4.36596"
                           yFract="0.51729384"
                           z3="4.2636"
                           zFract="0.19188119"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10813"
                           xFract="0.48674526"
                           y3="4.23182"
                           yFract="0.50140047"
                           z3="8.48825"
                           zFract="0.38200945"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18383"
                           xFract="0.73268128"
                           y3="6.36136"
                           yFract="0.75371564"
                           z3="4.2184"
                           zFract="0.18984698"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41218"
                           xFract="0.75973697"
                           y3="6.32061"
                           yFract="0.74888744"
                           z3="8.43688"
                           zFract="0.37969757"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03719"
                           xFract="-0.0044064"
                           y3="4.18065"
                           yFract="0.49533768"
                           z3="10.02831"
                           zFract="0.45131908"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00324"
                           xFract="-0.00038389"
                           y3="6.3666"
                           yFract="0.75433649"
                           z3="8.48041"
                           zFract="0.38165662"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3420"
                           xFract="0.7514218"
                           y3="0.01472"
                           yFract="0.00174408"
                           z3="4.23539"
                           zFract="0.19061161"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01639"
                           xFract="0.00194194"
                           y3="2.06833"
                           yFract="0.2450628"
                           z3="8.50879"
                           zFract="0.38293384"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34744"
                           xFract="0.75206635"
                           y3="6.33745"
                           yFract="0.7508827"
                           z3="6.34688"
                           zFract="0.28563816"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2103"
                           xFract="0.49885071"
                           y3="6.34074"
                           yFract="0.75127251"
                           z3="4.21133"
                           zFract="0.1895288"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43454"
                           xFract="0.99935308"
                           y3="0.01588"
                           yFract="0.00188152"
                           z3="6.33775"
                           zFract="0.28522727"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42371"
                           xFract="0.99806991"
                           y3="2.10267"
                           yFract="0.24913152"
                           z3="4.21732"
                           zFract="0.18979838"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10908"
                           xFract="0.249891"
                           y3="4.18608"
                           yFract="0.49598104"
                           z3="8.40292"
                           zFract="0.37816922"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09728"
                           xFract="0.24849289"
                           y3="4.20747"
                           yFract="0.4985154"
                           z3="4.22979"
                           zFract="0.19035959"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08454"
                           xFract="0.24698341"
                           y3="6.34371"
                           yFract="0.75162441"
                           z3="6.32935"
                           zFract="0.28484923"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09029"
                           xFract="0.24766469"
                           y3="0.00671"
                           yFract="0.00079502"
                           z3="4.19817"
                           zFract="0.18893654"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25052"
                           xFract="0.50361611"
                           y3="0.03939"
                           yFract="0.00466706"
                           z3="6.30461"
                           zFract="0.28373582"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35142"
                           xFract="0.75253791"
                           y3="2.12076"
                           yFract="0.25127488"
                           z3="6.40439"
                           zFract="0.28822637"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.1956"
                           xFract="0.73407583"
                           y3="4.11867"
                           yFract="0.48799408"
                           z3="8.60234"
                           zFract="0.38714401"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24701"
                           xFract="0.50320024"
                           y3="2.12346"
                           yFract="0.25159479"
                           z3="8.59466"
                           zFract="0.38679838"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42545"
                           xFract="0.99827607"
                           y3="6.3244"
                           yFract="0.74933649"
                           z3="4.23124"
                           zFract="0.19042484"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4159"
                           xFract="0.99714455"
                           y3="4.24069"
                           yFract="0.50245142"
                           z3="6.32417"
                           zFract="0.28461611"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22129"
                           xFract="0.50015284"
                           y3="2.1096"
                           yFract="0.24995261"
                           z3="4.1825"
                           zFract="0.18823132"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12236"
                           xFract="0.25146445"
                           y3="2.09485"
                           yFract="0.24820498"
                           z3="6.34424"
                           zFract="0.28551935"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35912"
                           xFract="0.75345024"
                           y3="4.19788"
                           yFract="0.49737915"
                           z3="4.23334"
                           zFract="0.19051935"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24193"
                           xFract="0.50259834"
                           y3="6.32517"
                           yFract="0.74942773"
                           z3="8.46673"
                           zFract="0.38104095"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27516"
                           xFract="0.50653555"
                           y3="4.17471"
                           yFract="0.49463389"
                           z3="6.38902"
                           zFract="0.28753465"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1278"
                           xFract="0.252109"
                           y3="0.01435"
                           yFract="0.00170024"
                           z3="8.41603"
                           zFract="0.37875923"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34336"
                           xFract="0.75158294"
                           y3="0.02953"
                           yFract="0.00349882"
                           z3="8.49137"
                           zFract="0.38214986"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.32128"
                           xFract="0.98593365"
                           y3="2.08103"
                           yFract="0.24656754"
                           z3="6.3239"
                           zFract="0.28460396"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13656"
                           xFract="0.25314692"
                           y3="8.41435"
                           yFract="0.9969609"
                           z3="6.27529"
                           zFract="0.28241629"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43666"
                           xFract="0.99960427"
                           y3="0.00773"
                           yFract="0.00091588"
                           z3="4.24153"
                           zFract="0.19088794"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43496"
                           xFract="0.99940284"
                           y3="0.04568"
                           yFract="0.00541232"
                           z3="8.38223"
                           zFract="0.37723807"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09157"
                           xFract="0.24781635"
                           y3="2.11055"
                           yFract="0.25006517"
                           z3="4.26686"
                           zFract="0.1920279"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01493"
                           xFract="0.23873578"
                           y3="2.09267"
                           yFract="0.24794668"
                           z3="8.43924"
                           zFract="0.37980378"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38291"
                           xFract="0.51930213"
                           y3="2.1109"
                           yFract="0.25010664"
                           z3="6.2136"
                           zFract="0.27963996"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34246"
                           xFract="0.7514763"
                           y3="8.34093"
                           yFract="0.98826185"
                           z3="6.29224"
                           zFract="0.28317912"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21347"
                           xFract="0.4992263"
                           y3="8.32011"
                           yFract="0.98579502"
                           z3="4.19395"
                           zFract="0.18874662"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26376"
                           xFract="0.50518483"
                           y3="0.01615"
                           yFract="0.00191351"
                           z3="8.45423"
                           zFract="0.3804784"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34067"
                           xFract="0.75126422"
                           y3="2.07088"
                           yFract="0.24536493"
                           z3="4.07989"
                           zFract="0.18361341"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50361"
                           xFract="0.77056991"
                           y3="2.11597"
                           yFract="0.25070735"
                           z3="8.66318"
                           zFract="0.38988209"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4242"
                           xFract="0.99812796"
                           y3="6.38663"
                           yFract="0.75670972"
                           z3="6.33813"
                           zFract="0.28524437"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9720"
                           xFract="0.23364929"
                           y3="4.25664"
                           yFract="0.50434123"
                           z3="6.37107"
                           zFract="0.28672682"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02862"
                           xFract="0.003391"
                           y3="4.19043"
                           yFract="0.49649645"
                           z3="4.1069"
                           zFract="0.18482898"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14287"
                           xFract="0.01692773"
                           y3="4.16736"
                           yFract="0.49376303"
                           z3="9.07018"
                           zFract="0.40819892"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21926"
                           xFract="0.2629455"
                           y3="6.32532"
                           yFract="0.7494455"
                           z3="4.2555"
                           zFract="0.19151665"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06293"
                           xFract="0.24442299"
                           y3="6.34759"
                           yFract="0.75208412"
                           z3="8.44156"
                           zFract="0.37990819"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23357"
                           xFract="0.50160782"
                           y3="6.34447"
                           yFract="0.75171445"
                           z3="6.27025"
                           zFract="0.28218947"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44068"
                           xFract="0.76311374"
                           y3="4.3302"
                           yFract="0.51305687"
                           z3="6.30018"
                           zFract="0.28353645"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19457"
                           xFract="0.49698697"
                           y3="4.36496"
                           yFract="0.51717536"
                           z3="4.26651"
                           zFract="0.19201215"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11303"
                           xFract="0.48732583"
                           y3="4.23189"
                           yFract="0.50140877"
                           z3="8.48616"
                           zFract="0.38191539"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18356"
                           xFract="0.73264929"
                           y3="6.36172"
                           yFract="0.75375829"
                           z3="4.2191"
                           zFract="0.18987849"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41072"
                           xFract="0.75956398"
                           y3="6.31481"
                           yFract="0.74820024"
                           z3="8.43901"
                           zFract="0.37979343"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03705"
                           xFract="-0.00438981"
                           y3="4.18058"
                           yFract="0.49532938"
                           z3="10.02935"
                           zFract="0.45136589"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00344"
                           xFract="-0.00040758"
                           y3="6.36619"
                           yFract="0.75428791"
                           z3="8.48058"
                           zFract="0.38166427"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34212"
                           xFract="0.75143602"
                           y3="0.01475"
                           yFract="0.00174763"
                           z3="4.23544"
                           zFract="0.19061386"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01644"
                           xFract="0.00194787"
                           y3="2.06795"
                           yFract="0.24501777"
                           z3="8.50924"
                           zFract="0.3829541"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34738"
                           xFract="0.75205924"
                           y3="6.33746"
                           yFract="0.75088389"
                           z3="6.34678"
                           zFract="0.28563366"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21031"
                           xFract="0.4988519"
                           y3="6.34075"
                           yFract="0.7512737"
                           z3="4.21119"
                           zFract="0.1895225"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43455"
                           xFract="0.99935427"
                           y3="0.01589"
                           yFract="0.0018827"
                           z3="6.3376"
                           zFract="0.28522052"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42361"
                           xFract="0.99805806"
                           y3="2.10279"
                           yFract="0.24914573"
                           z3="4.21783"
                           zFract="0.18982133"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10924"
                           xFract="0.24990995"
                           y3="4.18619"
                           yFract="0.49599408"
                           z3="8.40304"
                           zFract="0.37817462"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09719"
                           xFract="0.24848223"
                           y3="4.20749"
                           yFract="0.49851777"
                           z3="4.23011"
                           zFract="0.19037399"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08453"
                           xFract="0.24698223"
                           y3="6.34375"
                           yFract="0.75162915"
                           z3="6.32927"
                           zFract="0.28484563"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09021"
                           xFract="0.24765521"
                           y3="0.0067"
                           yFract="0.00079384"
                           z3="4.19805"
                           zFract="0.18893114"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25063"
                           xFract="0.50362915"
                           y3="0.03934"
                           yFract="0.00466114"
                           z3="6.30494"
                           zFract="0.28375068"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35144"
                           xFract="0.75254028"
                           y3="2.12082"
                           yFract="0.25128199"
                           z3="6.40449"
                           zFract="0.28823087"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.19578"
                           xFract="0.73409716"
                           y3="4.11835"
                           yFract="0.48795616"
                           z3="8.60228"
                           zFract="0.38714131"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24683"
                           xFract="0.50317891"
                           y3="2.12365"
                           yFract="0.2516173"
                           z3="8.59448"
                           zFract="0.38679028"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4254"
                           xFract="0.99827014"
                           y3="6.32445"
                           yFract="0.74934242"
                           z3="4.23146"
                           zFract="0.19043474"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41569"
                           xFract="0.99711967"
                           y3="4.24071"
                           yFract="0.50245379"
                           z3="6.32489"
                           zFract="0.28464851"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22143"
                           xFract="0.50016943"
                           y3="2.10967"
                           yFract="0.2499609"
                           z3="4.18256"
                           zFract="0.18823402"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12238"
                           xFract="0.25146682"
                           y3="2.09484"
                           yFract="0.24820379"
                           z3="6.34406"
                           zFract="0.28551125"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35915"
                           xFract="0.75345379"
                           y3="4.19792"
                           yFract="0.49738389"
                           z3="4.23359"
                           zFract="0.1905306"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24213"
                           xFract="0.50262204"
                           y3="6.32498"
                           yFract="0.74940521"
                           z3="8.46669"
                           zFract="0.38103915"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27488"
                           xFract="0.50650237"
                           y3="4.17461"
                           yFract="0.49462204"
                           z3="6.38922"
                           zFract="0.28754365"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12768"
                           xFract="0.25209479"
                           y3="0.01438"
                           yFract="0.00170379"
                           z3="8.41583"
                           zFract="0.37875023"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34355"
                           xFract="0.75160545"
                           y3="0.02941"
                           yFract="0.0034846"
                           z3="8.49143"
                           zFract="0.38215257"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.32128"
                           xFract="0.98593365"
                           y3="2.0811"
                           yFract="0.24657583"
                           z3="6.32415"
                           zFract="0.28461521"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13659"
                           xFract="0.25315047"
                           y3="8.41438"
                           yFract="0.99696445"
                           z3="6.27553"
                           zFract="0.28242709"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43668"
                           xFract="0.99960664"
                           y3="0.00769"
                           yFract="0.00091114"
                           z3="4.24191"
                           zFract="0.19090504"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43499"
                           xFract="0.9994064"
                           y3="0.04598"
                           yFract="0.00544787"
                           z3="8.38236"
                           zFract="0.37724392"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09161"
                           xFract="0.24782109"
                           y3="2.11064"
                           yFract="0.25007583"
                           z3="4.26689"
                           zFract="0.19202925"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01489"
                           xFract="0.23873104"
                           y3="2.09297"
                           yFract="0.24798223"
                           z3="8.43929"
                           zFract="0.37980603"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38309"
                           xFract="0.51932346"
                           y3="2.11096"
                           yFract="0.25011374"
                           z3="6.21357"
                           zFract="0.27963861"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34258"
                           xFract="0.75149052"
                           y3="8.34105"
                           yFract="0.98827607"
                           z3="6.29238"
                           zFract="0.28318542"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21349"
                           xFract="0.49922867"
                           y3="8.32009"
                           yFract="0.98579265"
                           z3="4.19385"
                           zFract="0.18874212"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26411"
                           xFract="0.5052263"
                           y3="0.01614"
                           yFract="0.00191232"
                           z3="8.45416"
                           zFract="0.38047525"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34061"
                           xFract="0.75125711"
                           y3="2.07086"
                           yFract="0.24536256"
                           z3="4.07986"
                           zFract="0.18361206"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50359"
                           xFract="0.77056754"
                           y3="2.11624"
                           yFract="0.25073934"
                           z3="8.66374"
                           zFract="0.38990729"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42432"
                           xFract="0.99814218"
                           y3="6.38686"
                           yFract="0.75673697"
                           z3="6.33836"
                           zFract="0.28525473"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.97189"
                           xFract="0.23363626"
                           y3="4.2567"
                           yFract="0.50434834"
                           z3="6.37137"
                           zFract="0.28674032"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0287"
                           xFract="0.00340047"
                           y3="4.19059"
                           yFract="0.4965154"
                           z3="4.10705"
                           zFract="0.18483573"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14269"
                           xFract="0.0169064"
                           y3="4.16761"
                           yFract="0.49379265"
                           z3="9.07218"
                           zFract="0.40828893"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21935"
                           xFract="0.26295616"
                           y3="6.32516"
                           yFract="0.74942654"
                           z3="4.25553"
                           zFract="0.191518"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06258"
                           xFract="0.24438152"
                           y3="6.34727"
                           yFract="0.75204621"
                           z3="8.44184"
                           zFract="0.37992079"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23358"
                           xFract="0.501609"
                           y3="6.34464"
                           yFract="0.7517346"
                           z3="6.26999"
                           zFract="0.28217777"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44039"
                           xFract="0.76307938"
                           y3="4.33023"
                           yFract="0.51306043"
                           z3="6.30038"
                           zFract="0.28354545"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19448"
                           xFract="0.4969763"
                           y3="4.36487"
                           yFract="0.51716469"
                           z3="4.26676"
                           zFract="0.1920234"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11344"
                           xFract="0.48737441"
                           y3="4.2319"
                           yFract="0.50140995"
                           z3="8.48599"
                           zFract="0.38190774"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18353"
                           xFract="0.73264573"
                           y3="6.36175"
                           yFract="0.75376185"
                           z3="4.21915"
                           zFract="0.18988074"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41059"
                           xFract="0.75954858"
                           y3="6.31432"
                           yFract="0.74814218"
                           z3="8.43919"
                           zFract="0.37980153"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03657"
                           xFract="-0.00433294"
                           y3="4.18032"
                           yFract="0.49529858"
                           z3="10.0324"
                           zFract="0.45150315"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00396"
                           xFract="-0.00046919"
                           y3="6.36526"
                           yFract="0.75417773"
                           z3="8.48072"
                           zFract="0.38167057"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3420"
                           xFract="0.7514218"
                           y3="0.01474"
                           yFract="0.00174645"
                           z3="4.23544"
                           zFract="0.19061386"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01564"
                           xFract="0.00185308"
                           y3="2.06825"
                           yFract="0.24505332"
                           z3="8.51034"
                           zFract="0.3830036"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34717"
                           xFract="0.75203436"
                           y3="6.33747"
                           yFract="0.75088507"
                           z3="6.34676"
                           zFract="0.28563276"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21018"
                           xFract="0.49883649"
                           y3="6.34066"
                           yFract="0.75126303"
                           z3="4.21116"
                           zFract="0.18952115"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43457"
                           xFract="0.99935664"
                           y3="0.01603"
                           yFract="0.00189929"
                           z3="6.33783"
                           zFract="0.28523087"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42333"
                           xFract="0.99802488"
                           y3="2.10317"
                           yFract="0.24919076"
                           z3="4.21853"
                           zFract="0.18985284"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10868"
                           xFract="0.2498436"
                           y3="4.1867"
                           yFract="0.4960545"
                           z3="8.40433"
                           zFract="0.37823267"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09712"
                           xFract="0.24847393"
                           y3="4.2076"
                           yFract="0.49853081"
                           z3="4.23089"
                           zFract="0.19040909"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08459"
                           xFract="0.24698934"
                           y3="6.34379"
                           yFract="0.75163389"
                           z3="6.3299"
                           zFract="0.28487399"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09041"
                           xFract="0.24767891"
                           y3="0.00668"
                           yFract="0.00079147"
                           z3="4.19814"
                           zFract="0.18893519"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25103"
                           xFract="0.50367654"
                           y3="0.03939"
                           yFract="0.00466706"
                           z3="6.30554"
                           zFract="0.28377768"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35167"
                           xFract="0.75256754"
                           y3="2.12094"
                           yFract="0.25129621"
                           z3="6.40497"
                           zFract="0.28825248"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.19671"
                           xFract="0.73420735"
                           y3="4.11818"
                           yFract="0.48793602"
                           z3="8.60259"
                           zFract="0.38715527"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2466"
                           xFract="0.50315166"
                           y3="2.12347"
                           yFract="0.25159597"
                           z3="8.59409"
                           zFract="0.38677273"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42524"
                           xFract="0.99825118"
                           y3="6.32416"
                           yFract="0.74930806"
                           z3="4.23189"
                           zFract="0.1904541"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41511"
                           xFract="0.99705095"
                           y3="4.24047"
                           yFract="0.50242536"
                           z3="6.32622"
                           zFract="0.28470837"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22176"
                           xFract="0.50020853"
                           y3="2.1099"
                           yFract="0.24998815"
                           z3="4.18246"
                           zFract="0.18822952"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12245"
                           xFract="0.25147512"
                           y3="2.09518"
                           yFract="0.24824408"
                           z3="6.34426"
                           zFract="0.28552025"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35906"
                           xFract="0.75344313"
                           y3="4.19806"
                           yFract="0.49740047"
                           z3="4.23429"
                           zFract="0.19056211"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24265"
                           xFract="0.50268365"
                           y3="6.32559"
                           yFract="0.74947749"
                           z3="8.4666"
                           zFract="0.3810351"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27441"
                           xFract="0.50644668"
                           y3="4.17447"
                           yFract="0.49460545"
                           z3="6.38883"
                           zFract="0.2875261"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12812"
                           xFract="0.25214692"
                           y3="0.0143"
                           yFract="0.00169431"
                           z3="8.41537"
                           zFract="0.37872952"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34335"
                           xFract="0.75158175"
                           y3="0.02929"
                           yFract="0.00347038"
                           z3="8.49145"
                           zFract="0.38215347"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.32098"
                           xFract="0.9858981"
                           y3="2.08086"
                           yFract="0.24654739"
                           z3="6.32439"
                           zFract="0.28462601"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13691"
                           xFract="0.25318839"
                           y3="8.41442"
                           yFract="0.99696919"
                           z3="6.27606"
                           zFract="0.28245095"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43695"
                           xFract="0.99963863"
                           y3="0.00788"
                           yFract="0.00093365"
                           z3="4.24267"
                           zFract="0.19093924"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43508"
                           xFract="0.99941706"
                           y3="0.04611"
                           yFract="0.00546327"
                           z3="8.38266"
                           zFract="0.37725743"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09165"
                           xFract="0.24782583"
                           y3="2.11059"
                           yFract="0.25006991"
                           z3="4.26699"
                           zFract="0.19203375"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01455"
                           xFract="0.23869076"
                           y3="2.09278"
                           yFract="0.24795972"
                           z3="8.43962"
                           zFract="0.37982088"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38333"
                           xFract="0.5193519"
                           y3="2.11086"
                           yFract="0.2501019"
                           z3="6.21346"
                           zFract="0.27963366"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34272"
                           xFract="0.75150711"
                           y3="8.34118"
                           yFract="0.98829147"
                           z3="6.2928"
                           zFract="0.28320432"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21343"
                           xFract="0.49922156"
                           y3="8.3200"
                           yFract="0.98578199"
                           z3="4.19392"
                           zFract="0.18874527"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26441"
                           xFract="0.50526185"
                           y3="0.01568"
                           yFract="0.00185782"
                           z3="8.45405"
                           zFract="0.3804703"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34067"
                           xFract="0.75126422"
                           y3="2.07102"
                           yFract="0.24538152"
                           z3="4.0797"
                           zFract="0.18360486"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.5040"
                           xFract="0.77061611"
                           y3="2.11578"
                           yFract="0.25068483"
                           z3="8.66526"
                           zFract="0.3899757"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42422"
                           xFract="0.99813033"
                           y3="6.38795"
                           yFract="0.75686611"
                           z3="6.33917"
                           zFract="0.28529118"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.97162"
                           xFract="0.23360427"
                           y3="4.25695"
                           yFract="0.50437796"
                           z3="6.37129"
                           zFract="0.28673672"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02867"
                           xFract="0.00339692"
                           y3="4.1908"
                           yFract="0.49654028"
                           z3="4.10739"
                           zFract="0.18485104"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.1434"
                           xFract="0.01699052"
                           y3="4.16828"
                           yFract="0.49387204"
                           z3="9.07482"
                           zFract="0.40840774"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2194"
                           xFract="0.26296209"
                           y3="6.32515"
                           yFract="0.74942536"
                           z3="4.2556"
                           zFract="0.19152115"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06207"
                           xFract="0.24432109"
                           y3="6.3467"
                           yFract="0.75197867"
                           z3="8.44245"
                           zFract="0.37994824"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23347"
                           xFract="0.50159597"
                           y3="6.34483"
                           yFract="0.75175711"
                           z3="6.26951"
                           zFract="0.28215617"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43968"
                           xFract="0.76299526"
                           y3="4.3304"
                           yFract="0.51308057"
                           z3="6.30087"
                           zFract="0.28356751"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19444"
                           xFract="0.49697156"
                           y3="4.36481"
                           yFract="0.51715758"
                           z3="4.26743"
                           zFract="0.19205356"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1150"
                           xFract="0.48755924"
                           y3="4.23194"
                           yFract="0.50141469"
                           z3="8.48631"
                           zFract="0.38192214"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18367"
                           xFract="0.73266232"
                           y3="6.36181"
                           yFract="0.75376896"
                           z3="4.2191"
                           zFract="0.18987849"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41011"
                           xFract="0.75949171"
                           y3="6.31313"
                           yFract="0.74800118"
                           z3="8.43947"
                           zFract="0.37981413"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03514"
                           xFract="-0.00416351"
                           y3="4.17955"
                           yFract="0.49520735"
                           z3="10.04155"
                           zFract="0.45191494"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00552"
                           xFract="-0.00065403"
                           y3="6.36247"
                           yFract="0.75384716"
                           z3="8.48113"
                           zFract="0.38168902"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34164"
                           xFract="0.75137915"
                           y3="0.01468"
                           yFract="0.00173934"
                           z3="4.23544"
                           zFract="0.19061386"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01326"
                           xFract="0.00157109"
                           y3="2.06916"
                           yFract="0.24516114"
                           z3="8.51364"
                           zFract="0.38315212"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34653"
                           xFract="0.75195853"
                           y3="6.33752"
                           yFract="0.750891"
                           z3="6.34673"
                           zFract="0.28563141"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20977"
                           xFract="0.49878791"
                           y3="6.34038"
                           yFract="0.75122986"
                           z3="4.21106"
                           zFract="0.18951665"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43464"
                           xFract="0.99936493"
                           y3="0.01644"
                           yFract="0.00194787"
                           z3="6.33852"
                           zFract="0.28526193"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42249"
                           xFract="0.99792536"
                           y3="2.10429"
                           yFract="0.24932346"
                           z3="4.22063"
                           zFract="0.18994734"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1070"
                           xFract="0.24964455"
                           y3="4.18824"
                           yFract="0.49623697"
                           z3="8.40821"
                           zFract="0.37840729"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09694"
                           xFract="0.24845261"
                           y3="4.20794"
                           yFract="0.49857109"
                           z3="4.23322"
                           zFract="0.19051395"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08475"
                           xFract="0.24700829"
                           y3="6.34391"
                           yFract="0.7516481"
                           z3="6.33179"
                           zFract="0.28495905"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0910"
                           xFract="0.24774882"
                           y3="0.00663"
                           yFract="0.00078555"
                           z3="4.1984"
                           zFract="0.18894689"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25223"
                           xFract="0.50381872"
                           y3="0.03953"
                           yFract="0.00468365"
                           z3="6.30735"
                           zFract="0.28385914"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35239"
                           xFract="0.75265284"
                           y3="2.12132"
                           yFract="0.25134123"
                           z3="6.40643"
                           zFract="0.28831818"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.1995"
                           xFract="0.73453791"
                           y3="4.11768"
                           yFract="0.48787678"
                           z3="8.6035"
                           zFract="0.38719622"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2459"
                           xFract="0.50306872"
                           y3="2.12294"
                           yFract="0.25153318"
                           z3="8.59291"
                           zFract="0.38671962"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42478"
                           xFract="0.99819668"
                           y3="6.32329"
                           yFract="0.74920498"
                           z3="4.23316"
                           zFract="0.19051125"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41338"
                           xFract="0.99684597"
                           y3="4.23973"
                           yFract="0.50233768"
                           z3="6.33023"
                           zFract="0.28488884"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22272"
                           xFract="0.50032227"
                           y3="2.1106"
                           yFract="0.25007109"
                           z3="4.18216"
                           zFract="0.18821602"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12266"
                           xFract="0.2515"
                           y3="2.09622"
                           yFract="0.2483673"
                           z3="6.34484"
                           zFract="0.28554635"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35879"
                           xFract="0.75341114"
                           y3="4.19848"
                           yFract="0.49745024"
                           z3="4.23639"
                           zFract="0.19065662"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24418"
                           xFract="0.50286493"
                           y3="6.32739"
                           yFract="0.74969076"
                           z3="8.46634"
                           zFract="0.3810234"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27301"
                           xFract="0.50628081"
                           y3="4.17403"
                           yFract="0.49455332"
                           z3="6.38766"
                           zFract="0.28747345"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12943"
                           xFract="0.25230213"
                           y3="0.01406"
                           yFract="0.00166588"
                           z3="8.4140"
                           zFract="0.37866787"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34275"
                           xFract="0.75151066"
                           y3="0.02892"
                           yFract="0.00342654"
                           z3="8.49151"
                           zFract="0.38215617"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.3201"
                           xFract="0.98579384"
                           y3="2.08013"
                           yFract="0.2464609"
                           z3="6.32511"
                           zFract="0.28465842"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13786"
                           xFract="0.25330095"
                           y3="8.41456"
                           yFract="0.99698578"
                           z3="6.27763"
                           zFract="0.2825216"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43775"
                           xFract="0.99973341"
                           y3="0.00847"
                           yFract="0.00100355"
                           z3="4.24494"
                           zFract="0.1910414"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43533"
                           xFract="0.99944668"
                           y3="0.04648"
                           yFract="0.00550711"
                           z3="8.38356"
                           zFract="0.37729793"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09179"
                           xFract="0.24784242"
                           y3="2.11043"
                           yFract="0.25005095"
                           z3="4.26729"
                           zFract="0.19204725"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0135"
                           xFract="0.23856635"
                           y3="2.0922"
                           yFract="0.247891"
                           z3="8.4406"
                           zFract="0.37986499"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38406"
                           xFract="0.51943839"
                           y3="2.11055"
                           yFract="0.25006517"
                           z3="6.21316"
                           zFract="0.27962016"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34313"
                           xFract="0.75155569"
                           y3="8.34156"
                           yFract="0.98833649"
                           z3="6.29404"
                           zFract="0.28326013"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21326"
                           xFract="0.49920142"
                           y3="8.31974"
                           yFract="0.98575118"
                           z3="4.19412"
                           zFract="0.18875428"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2653"
                           xFract="0.5053673"
                           y3="0.01431"
                           yFract="0.0016955"
                           z3="8.45373"
                           zFract="0.3804559"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34083"
                           xFract="0.75128318"
                           y3="2.0715"
                           yFract="0.24543839"
                           z3="4.07921"
                           zFract="0.18358281"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50523"
                           xFract="0.77076185"
                           y3="2.11442"
                           yFract="0.2505237"
                           z3="8.66982"
                           zFract="0.39018092"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42391"
                           xFract="0.9980936"
                           y3="6.39121"
                           yFract="0.75725237"
                           z3="6.34162"
                           zFract="0.28540144"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9708"
                           xFract="0.23350711"
                           y3="4.2577"
                           yFract="0.50446682"
                           z3="6.37102"
                           zFract="0.28672457"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02857"
                           xFract="0.00338507"
                           y3="4.19142"
                           yFract="0.49661374"
                           z3="4.10842"
                           zFract="0.18489739"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14553"
                           xFract="0.01724289"
                           y3="4.17031"
                           yFract="0.49411256"
                           z3="9.08273"
                           zFract="0.40876373"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21952"
                           xFract="0.2629763"
                           y3="6.32509"
                           yFract="0.74941825"
                           z3="4.2558"
                           zFract="0.19153015"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06054"
                           xFract="0.24413981"
                           y3="6.34501"
                           yFract="0.75177844"
                           z3="8.44429"
                           zFract="0.38003105"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23315"
                           xFract="0.50155806"
                           y3="6.34542"
                           yFract="0.75182701"
                           z3="6.26806"
                           zFract="0.28209091"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43756"
                           xFract="0.76274408"
                           y3="4.33089"
                           yFract="0.51313863"
                           z3="6.30233"
                           zFract="0.28363321"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19432"
                           xFract="0.49695735"
                           y3="4.36464"
                           yFract="0.51713744"
                           z3="4.26946"
                           zFract="0.19214491"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11967"
                           xFract="0.48811256"
                           y3="4.23206"
                           yFract="0.50142891"
                           z3="8.48729"
                           zFract="0.38196625"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18408"
                           xFract="0.7327109"
                           y3="6.36199"
                           yFract="0.75379028"
                           z3="4.21894"
                           zFract="0.18987129"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40864"
                           xFract="0.75931754"
                           y3="6.30955"
                           yFract="0.74757701"
                           z3="8.44031"
                           zFract="0.37985194"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03227"
                           xFract="-0.00382346"
                           y3="4.1780"
                           yFract="0.4950237"
                           z3="10.05984"
                           zFract="0.45273807"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00864"
                           xFract="-0.0010237"
                           y3="6.3569"
                           yFract="0.7531872"
                           z3="8.48196"
                           zFract="0.38172637"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34093"
                           xFract="0.75129502"
                           y3="0.01458"
                           yFract="0.00172749"
                           z3="4.23545"
                           zFract="0.19061431"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0085"
                           xFract="0.00100711"
                           y3="2.07098"
                           yFract="0.24537678"
                           z3="8.52023"
                           zFract="0.38344869"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34525"
                           xFract="0.75180687"
                           y3="6.33761"
                           yFract="0.75090166"
                           z3="6.34666"
                           zFract="0.28562826"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20895"
                           xFract="0.49869076"
                           y3="6.33982"
                           yFract="0.75116351"
                           z3="4.21087"
                           zFract="0.1895081"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43478"
                           xFract="0.99938152"
                           y3="0.01728"
                           yFract="0.00204739"
                           z3="6.33991"
                           zFract="0.28532448"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42081"
                           xFract="0.9977263"
                           y3="2.10654"
                           yFract="0.24959005"
                           z3="4.22484"
                           zFract="0.19013681"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10364"
                           xFract="0.24924645"
                           y3="4.19132"
                           yFract="0.4966019"
                           z3="8.41597"
                           zFract="0.37875653"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09658"
                           xFract="0.24840995"
                           y3="4.20861"
                           yFract="0.49865047"
                           z3="4.23788"
                           zFract="0.19072367"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08507"
                           xFract="0.24704621"
                           y3="6.34415"
                           yFract="0.75167654"
                           z3="6.33559"
                           zFract="0.28513006"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09218"
                           xFract="0.24788863"
                           y3="0.00652"
                           yFract="0.00077251"
                           z3="4.19892"
                           zFract="0.1889703"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25462"
                           xFract="0.5041019"
                           y3="0.03983"
                           yFract="0.00471919"
                           z3="6.31096"
                           zFract="0.2840216"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35381"
                           xFract="0.75282109"
                           y3="2.12207"
                           yFract="0.25143009"
                           z3="6.40935"
                           zFract="0.28844959"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.20507"
                           xFract="0.73519787"
                           y3="4.11669"
                           yFract="0.48775948"
                           z3="8.60532"
                           zFract="0.38727813"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2445"
                           xFract="0.50290284"
                           y3="2.12187"
                           yFract="0.2514064"
                           z3="8.59056"
                           zFract="0.38661386"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42384"
                           xFract="0.99808531"
                           y3="6.32155"
                           yFract="0.74899882"
                           z3="4.23571"
                           zFract="0.19062601"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40992"
                           xFract="0.99643602"
                           y3="4.23826"
                           yFract="0.50216351"
                           z3="6.33826"
                           zFract="0.28525023"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22466"
                           xFract="0.50055213"
                           y3="2.11199"
                           yFract="0.25023578"
                           z3="4.18156"
                           zFract="0.18818902"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12307"
                           xFract="0.25154858"
                           y3="2.0983"
                           yFract="0.24861374"
                           z3="6.34601"
                           zFract="0.28559901"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35826"
                           xFract="0.75334834"
                           y3="4.19933"
                           yFract="0.49755095"
                           z3="4.2406"
                           zFract="0.19084608"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24726"
                           xFract="0.50322986"
                           y3="6.3310"
                           yFract="0.75011848"
                           z3="8.4658"
                           zFract="0.3809991"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27019"
                           xFract="0.50594668"
                           y3="4.17315"
                           yFract="0.49444905"
                           z3="6.38532"
                           zFract="0.28736814"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13204"
                           xFract="0.25261137"
                           y3="0.01359"
                           yFract="0.00161019"
                           z3="8.41126"
                           zFract="0.37854455"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34155"
                           xFract="0.75136848"
                           y3="0.0282"
                           yFract="0.00334123"
                           z3="8.49163"
                           zFract="0.38216157"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31835"
                           xFract="0.98558649"
                           y3="2.07867"
                           yFract="0.24628791"
                           z3="6.32654"
                           zFract="0.28472277"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13976"
                           xFract="0.25352607"
                           y3="8.41483"
                           yFract="0.99701777"
                           z3="6.28077"
                           zFract="0.28266292"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43935"
                           xFract="0.99992299"
                           y3="0.00965"
                           yFract="0.00114336"
                           z3="4.24948"
                           zFract="0.19124572"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43583"
                           xFract="0.99950592"
                           y3="0.04722"
                           yFract="0.00559479"
                           z3="8.38535"
                           zFract="0.37737849"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09205"
                           xFract="0.24787322"
                           y3="2.11011"
                           yFract="0.25001303"
                           z3="4.2679"
                           zFract="0.19207471"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01142"
                           xFract="0.23831991"
                           y3="2.09105"
                           yFract="0.24775474"
                           z3="8.44257"
                           zFract="0.37995365"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38551"
                           xFract="0.51961019"
                           y3="2.10992"
                           yFract="0.24999052"
                           z3="6.21254"
                           zFract="0.27959226"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34395"
                           xFract="0.75165284"
                           y3="8.34233"
                           yFract="0.98842773"
                           z3="6.29653"
                           zFract="0.28337219"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21293"
                           xFract="0.49916232"
                           y3="8.31922"
                           yFract="0.98568957"
                           z3="4.19453"
                           zFract="0.18877273"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26707"
                           xFract="0.50557701"
                           y3="0.01156"
                           yFract="0.00136967"
                           z3="8.45308"
                           zFract="0.38042664"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34117"
                           xFract="0.75132346"
                           y3="2.07246"
                           yFract="0.24555213"
                           z3="4.07823"
                           zFract="0.1835387"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50769"
                           xFract="0.77105332"
                           y3="2.11169"
                           yFract="0.25020024"
                           z3="8.67894"
                           zFract="0.39059136"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42329"
                           xFract="0.99802014"
                           y3="6.39774"
                           yFract="0.75802607"
                           z3="6.34651"
                           zFract="0.28562151"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96916"
                           xFract="0.2333128"
                           y3="4.25921"
                           yFract="0.50464573"
                           z3="6.37049"
                           zFract="0.28670072"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02836"
                           xFract="0.00336019"
                           y3="4.19267"
                           yFract="0.49676185"
                           z3="4.11047"
                           zFract="0.18498965"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.14978"
                           xFract="0.01774645"
                           y3="4.17436"
                           yFract="0.49459242"
                           z3="9.09855"
                           zFract="0.4094757"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21978"
                           xFract="0.26300711"
                           y3="6.32498"
                           yFract="0.74940521"
                           z3="4.2562"
                           zFract="0.19154815"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05748"
                           xFract="0.24377725"
                           y3="6.34162"
                           yFract="0.75137678"
                           z3="8.44797"
                           zFract="0.38019667"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23249"
                           xFract="0.50147986"
                           y3="6.34658"
                           yFract="0.75196445"
                           z3="6.26516"
                           zFract="0.2819604"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43333"
                           xFract="0.76224289"
                           y3="4.33188"
                           yFract="0.51325592"
                           z3="6.30524"
                           zFract="0.28376418"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19407"
                           xFract="0.49692773"
                           y3="4.3643"
                           yFract="0.51709716"
                           z3="4.27351"
                           zFract="0.19232718"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12901"
                           xFract="0.48921919"
                           y3="4.23231"
                           yFract="0.50145853"
                           z3="8.48925"
                           zFract="0.38205446"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18489"
                           xFract="0.73280687"
                           y3="6.36235"
                           yFract="0.75383294"
                           z3="4.21862"
                           zFract="0.18985689"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40572"
                           xFract="0.75897156"
                           y3="6.30238"
                           yFract="0.74672749"
                           z3="8.44199"
                           zFract="0.37992754"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a47" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02653"
                           xFract="-0.00314336"
                           y3="4.17491"
                           yFract="0.49465758"
                           z3="10.09644"
                           zFract="0.45438524"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01489"
                           xFract="-0.00176422"
                           y3="6.34575"
                           yFract="0.75186611"
                           z3="8.48361"
                           zFract="0.38180063"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3395"
                           xFract="0.75112559"
                           y3="0.01437"
                           yFract="0.00170261"
                           z3="4.23547"
                           zFract="0.19061521"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00103"
                           xFract="-0.00012204"
                           y3="2.07461"
                           yFract="0.24580687"
                           z3="8.53342"
                           zFract="0.3840423"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34269"
                           xFract="0.75150355"
                           y3="6.33781"
                           yFract="0.75092536"
                           z3="6.34652"
                           zFract="0.28562196"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20731"
                           xFract="0.49849645"
                           y3="6.33871"
                           yFract="0.75103199"
                           z3="4.21049"
                           zFract="0.189491"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43505"
                           xFract="0.99941351"
                           y3="0.01894"
                           yFract="0.00224408"
                           z3="6.34268"
                           zFract="0.28544914"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41744"
                           xFract="0.99732701"
                           y3="2.11103"
                           yFract="0.25012204"
                           z3="4.23324"
                           zFract="0.19051485"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09692"
                           xFract="0.24845024"
                           y3="4.19748"
                           yFract="0.49733175"
                           z3="8.43149"
                           zFract="0.379455"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09585"
                           xFract="0.24832346"
                           y3="4.20996"
                           yFract="0.49881043"
                           z3="4.24721"
                           zFract="0.19114356"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08571"
                           xFract="0.24712204"
                           y3="6.34462"
                           yFract="0.75173223"
                           z3="6.34317"
                           zFract="0.2854712"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09455"
                           xFract="0.24816943"
                           y3="0.0063"
                           yFract="0.00074645"
                           z3="4.19997"
                           zFract="0.18901755"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2594"
                           xFract="0.50466825"
                           y3="0.04042"
                           yFract="0.0047891"
                           z3="6.31818"
                           zFract="0.28434653"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35666"
                           xFract="0.75315877"
                           y3="2.12358"
                           yFract="0.251609"
                           z3="6.41519"
                           zFract="0.28871242"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.21622"
                           xFract="0.73651896"
                           y3="4.1147"
                           yFract="0.4875237"
                           z3="8.60898"
                           zFract="0.38744284"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2417"
                           xFract="0.50257109"
                           y3="2.11974"
                           yFract="0.25115403"
                           z3="8.58585"
                           zFract="0.38640189"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42196"
                           xFract="0.99786256"
                           y3="6.31808"
                           yFract="0.74858768"
                           z3="4.2408"
                           zFract="0.19085509"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4030"
                           xFract="0.99561611"
                           y3="4.23532"
                           yFract="0.50181517"
                           z3="6.3543"
                           zFract="0.2859721"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22853"
                           xFract="0.50101066"
                           y3="2.11476"
                           yFract="0.25056398"
                           z3="4.18037"
                           zFract="0.18813546"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1239"
                           xFract="0.25164692"
                           y3="2.10247"
                           yFract="0.24910782"
                           z3="6.34836"
                           zFract="0.28570477"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35719"
                           xFract="0.75322156"
                           y3="4.20102"
                           yFract="0.49775118"
                           z3="4.24901"
                           zFract="0.19122457"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25342"
                           xFract="0.50395972"
                           y3="6.33823"
                           yFract="0.75097512"
                           z3="8.46474"
                           zFract="0.3809514"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26456"
                           xFract="0.50527962"
                           y3="4.17139"
                           yFract="0.49424052"
                           z3="6.38063"
                           zFract="0.28715707"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13728"
                           xFract="0.25323223"
                           y3="0.01264"
                           yFract="0.00149763"
                           z3="8.40578"
                           zFract="0.37829793"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33916"
                           xFract="0.75108531"
                           y3="0.02674"
                           yFract="0.00316825"
                           z3="8.49187"
                           zFract="0.38217237"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31483"
                           xFract="0.98516943"
                           y3="2.07575"
                           yFract="0.24594194"
                           z3="6.32941"
                           zFract="0.28485194"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14356"
                           xFract="0.2539763"
                           y3="8.41538"
                           yFract="0.99708294"
                           z3="6.28706"
                           zFract="0.28294599"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00256"
                           xFract="0.00030332"
                           y3="0.01201"
                           yFract="0.00142299"
                           z3="4.25856"
                           zFract="0.19165437"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43682"
                           xFract="0.99962322"
                           y3="0.04872"
                           yFract="0.00577251"
                           z3="8.38893"
                           zFract="0.3775396"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09258"
                           xFract="0.24793602"
                           y3="2.10946"
                           yFract="0.24993602"
                           z3="4.2691"
                           zFract="0.19212871"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00725"
                           xFract="0.23782583"
                           y3="2.08874"
                           yFract="0.24748104"
                           z3="8.44649"
                           zFract="0.38013006"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38842"
                           xFract="0.51995498"
                           y3="2.10866"
                           yFract="0.24984123"
                           z3="6.21131"
                           zFract="0.2795369"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3456"
                           xFract="0.75184834"
                           y3="8.34387"
                           yFract="0.98861019"
                           z3="6.3015"
                           zFract="0.28359586"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21226"
                           xFract="0.49908294"
                           y3="8.31818"
                           yFract="0.98556635"
                           z3="4.19534"
                           zFract="0.18880918"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27062"
                           xFract="0.50599763"
                           y3="0.00606"
                           yFract="0.00071801"
                           z3="8.4518"
                           zFract="0.38036904"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34183"
                           xFract="0.75140166"
                           y3="2.07438"
                           yFract="0.24577962"
                           z3="4.07628"
                           zFract="0.18345095"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.51261"
                           xFract="0.77163626"
                           y3="2.10622"
                           yFract="0.24955213"
                           z3="8.69719"
                           zFract="0.39141269"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42205"
                           xFract="0.99787322"
                           y3="6.41081"
                           yFract="0.75957464"
                           z3="6.35629"
                           zFract="0.28606166"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96588"
                           xFract="0.23292417"
                           y3="4.26223"
                           yFract="0.50500355"
                           z3="6.36944"
                           zFract="0.28665347"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02795"
                           xFract="0.00331161"
                           y3="4.19516"
                           yFract="0.49705687"
                           z3="4.11456"
                           zFract="0.18517372"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15829"
                           xFract="0.01875474"
                           y3="4.18246"
                           yFract="0.49555213"
                           z3="9.13019"
                           zFract="0.41089964"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22028"
                           xFract="0.26306635"
                           y3="6.32476"
                           yFract="0.74937915"
                           z3="4.2570"
                           zFract="0.19158416"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05137"
                           xFract="0.24305332"
                           y3="6.33483"
                           yFract="0.75057227"
                           z3="8.45532"
                           zFract="0.38052745"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23117"
                           xFract="0.50132346"
                           y3="6.34892"
                           yFract="0.75224171"
                           z3="6.25936"
                           zFract="0.28169937"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42485"
                           xFract="0.76123815"
                           y3="4.33387"
                           yFract="0.51349171"
                           z3="6.31107"
                           zFract="0.28402655"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19357"
                           xFract="0.49686848"
                           y3="4.3636"
                           yFract="0.51701422"
                           z3="4.28163"
                           zFract="0.19269262"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14768"
                           xFract="0.49143128"
                           y3="4.2328"
                           yFract="0.50151659"
                           z3="8.49315"
                           zFract="0.38222997"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18652"
                           xFract="0.7330"
                           y3="6.36308"
                           yFract="0.75391943"
                           z3="4.21799"
                           zFract="0.18982853"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39986"
                           xFract="0.75827725"
                           y3="6.28805"
                           yFract="0.74502962"
                           z3="8.44536"
                           zFract="0.38007921"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.03019"
                           xFract="-0.00357701"
                           y3="4.17688"
                           yFract="0.494891"
                           z3="10.07306"
                           zFract="0.45333303"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0109"
                           xFract="-0.00129147"
                           y3="6.35287"
                           yFract="0.75270972"
                           z3="8.48255"
                           zFract="0.38175293"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34041"
                           xFract="0.75123341"
                           y3="0.0145"
                           yFract="0.00171801"
                           z3="4.23546"
                           zFract="0.19061476"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00506"
                           xFract="0.00059953"
                           y3="2.07229"
                           yFract="0.24553199"
                           z3="8.5250"
                           zFract="0.38366337"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34432"
                           xFract="0.75169668"
                           y3="6.33768"
                           yFract="0.75090995"
                           z3="6.34661"
                           zFract="0.28562601"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20835"
                           xFract="0.49861967"
                           y3="6.33942"
                           yFract="0.75111611"
                           z3="4.21073"
                           zFract="0.1895018"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43488"
                           xFract="0.99939336"
                           y3="0.01788"
                           yFract="0.00211848"
                           z3="6.34091"
                           zFract="0.28536949"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41959"
                           xFract="0.99758175"
                           y3="2.10816"
                           yFract="0.24978199"
                           z3="4.22787"
                           zFract="0.19027318"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10121"
                           xFract="0.24895853"
                           y3="4.19354"
                           yFract="0.49686493"
                           z3="8.42158"
                           zFract="0.379009"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09631"
                           xFract="0.24837796"
                           y3="4.2091"
                           yFract="0.49870853"
                           z3="4.24125"
                           zFract="0.19087534"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0853"
                           xFract="0.24707346"
                           y3="6.34432"
                           yFract="0.75169668"
                           z3="6.33832"
                           zFract="0.28525293"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09304"
                           xFract="0.24799052"
                           y3="0.00644"
                           yFract="0.00076303"
                           z3="4.1993"
                           zFract="0.1889874"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25635"
                           xFract="0.50430687"
                           y3="0.04004"
                           yFract="0.00474408"
                           z3="6.31356"
                           zFract="0.28413861"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35484"
                           xFract="0.75294313"
                           y3="2.12262"
                           yFract="0.25149526"
                           z3="6.41146"
                           zFract="0.28854455"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2091"
                           xFract="0.73567536"
                           y3="4.11597"
                           yFract="0.48767417"
                           z3="8.60664"
                           zFract="0.38733753"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24349"
                           xFract="0.50278318"
                           y3="2.1211"
                           yFract="0.25131517"
                           z3="8.58886"
                           zFract="0.38653735"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42316"
                           xFract="0.99800474"
                           y3="6.3203"
                           yFract="0.74885071"
                           z3="4.23755"
                           zFract="0.19070882"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40742"
                           xFract="0.99613981"
                           y3="4.2372"
                           yFract="0.50203791"
                           z3="6.34405"
                           zFract="0.2855108"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22605"
                           xFract="0.50071682"
                           y3="2.11299"
                           yFract="0.25035427"
                           z3="4.18113"
                           zFract="0.18816967"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12337"
                           xFract="0.25158412"
                           y3="2.09981"
                           yFract="0.24879265"
                           z3="6.34686"
                           zFract="0.28563726"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35787"
                           xFract="0.75330213"
                           y3="4.19994"
                           yFract="0.49762322"
                           z3="4.24364"
                           zFract="0.1909829"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24948"
                           xFract="0.50349289"
                           y3="6.33361"
                           yFract="0.75042773"
                           z3="8.46542"
                           zFract="0.380982"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26816"
                           xFract="0.50570616"
                           y3="4.17252"
                           yFract="0.49437441"
                           z3="6.38362"
                           zFract="0.28729163"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13393"
                           xFract="0.25283531"
                           y3="0.01325"
                           yFract="0.00156991"
                           z3="8.40928"
                           zFract="0.37845545"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34069"
                           xFract="0.75126659"
                           y3="0.02767"
                           yFract="0.00327844"
                           z3="8.49172"
                           zFract="0.38216562"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31708"
                           xFract="0.98543602"
                           y3="2.07762"
                           yFract="0.24616351"
                           z3="6.32758"
                           zFract="0.28476958"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14113"
                           xFract="0.25368839"
                           y3="8.41503"
                           yFract="0.99704147"
                           z3="6.28304"
                           zFract="0.28276508"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00051"
                           xFract="0.00006043"
                           y3="0.0105"
                           yFract="0.00124408"
                           z3="4.25276"
                           zFract="0.19139334"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43619"
                           xFract="0.99954858"
                           y3="0.04776"
                           yFract="0.00565877"
                           z3="8.38664"
                           zFract="0.37743654"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09224"
                           xFract="0.24789573"
                           y3="2.10987"
                           yFract="0.2499846"
                           z3="4.26833"
                           zFract="0.19209406"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00991"
                           xFract="0.238141"
                           y3="2.09021"
                           yFract="0.24765521"
                           z3="8.44398"
                           zFract="0.3800171"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38656"
                           xFract="0.5197346"
                           y3="2.10947"
                           yFract="0.2499372"
                           z3="6.2121"
                           zFract="0.27957246"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34455"
                           xFract="0.75172393"
                           y3="8.34289"
                           yFract="0.98849408"
                           z3="6.29832"
                           zFract="0.28345275"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21268"
                           xFract="0.4991327"
                           y3="8.31885"
                           yFract="0.98564573"
                           z3="4.19482"
                           zFract="0.18878578"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26835"
                           xFract="0.50572867"
                           y3="0.00957"
                           yFract="0.00113389"
                           z3="8.45262"
                           zFract="0.38040594"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34141"
                           xFract="0.7513519"
                           y3="2.07316"
                           yFract="0.24563507"
                           z3="4.07753"
                           zFract="0.1835072"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.50947"
                           xFract="0.77126422"
                           y3="2.10971"
                           yFract="0.24996564"
                           z3="8.68553"
                           zFract="0.39088794"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42284"
                           xFract="0.99796682"
                           y3="6.40246"
                           yFract="0.75858531"
                           z3="6.35004"
                           zFract="0.28578038"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96797"
                           xFract="0.2331718"
                           y3="4.2603"
                           yFract="0.50477488"
                           z3="6.37011"
                           zFract="0.28668362"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02822"
                           xFract="0.0033436"
                           y3="4.19356"
                           yFract="0.4968673"
                           z3="4.11195"
                           zFract="0.18505626"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15285"
                           xFract="0.01811019"
                           y3="4.17729"
                           yFract="0.49493957"
                           z3="9.10997"
                           zFract="0.40998965"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21996"
                           xFract="0.26302844"
                           y3="6.3249"
                           yFract="0.74939573"
                           z3="4.25649"
                           zFract="0.19156121"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05527"
                           xFract="0.2435154"
                           y3="6.33917"
                           yFract="0.75108649"
                           z3="8.45062"
                           zFract="0.38031593"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23201"
                           xFract="0.50142299"
                           y3="6.34743"
                           yFract="0.75206517"
                           z3="6.26306"
                           zFract="0.28186589"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43027"
                           xFract="0.76188033"
                           y3="4.3326"
                           yFract="0.51334123"
                           z3="6.30734"
                           zFract="0.28385869"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19389"
                           xFract="0.4969064"
                           y3="4.36405"
                           yFract="0.51706754"
                           z3="4.27644"
                           zFract="0.19245905"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13575"
                           xFract="0.49001777"
                           y3="4.23249"
                           yFract="0.50147986"
                           z3="8.49066"
                           zFract="0.38211791"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18548"
                           xFract="0.73287678"
                           y3="6.36261"
                           yFract="0.75386374"
                           z3="4.21839"
                           zFract="0.18984653"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4036"
                           xFract="0.75872038"
                           y3="6.29721"
                           yFract="0.74611493"
                           z3="8.44321"
                           zFract="0.37998245"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02617"
                           xFract="-0.00310071"
                           y3="4.1763"
                           yFract="0.49482227"
                           z3="10.07818"
                           zFract="0.45356346"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01265"
                           xFract="-0.00149882"
                           y3="6.35049"
                           yFract="0.75242773"
                           z3="8.48322"
                           zFract="0.38178308"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33971"
                           xFract="0.75115047"
                           y3="0.01453"
                           yFract="0.00172156"
                           z3="4.23577"
                           zFract="0.19062871"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00368"
                           xFract="0.00043602"
                           y3="2.07333"
                           yFract="0.24565521"
                           z3="8.52862"
                           zFract="0.38382628"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34392"
                           xFract="0.75164929"
                           y3="6.33787"
                           yFract="0.75093246"
                           z3="6.34788"
                           zFract="0.28568317"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20826"
                           xFract="0.498609"
                           y3="6.33999"
                           yFract="0.75118365"
                           z3="4.21167"
                           zFract="0.1895441"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43541"
                           xFract="0.99945616"
                           y3="0.01927"
                           yFract="0.00228318"
                           z3="6.34472"
                           zFract="0.28554095"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41948"
                           xFract="0.99756872"
                           y3="2.1090"
                           yFract="0.24988152"
                           z3="4.22799"
                           zFract="0.19027858"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10235"
                           xFract="0.2490936"
                           y3="4.1947"
                           yFract="0.49700237"
                           z3="8.42665"
                           zFract="0.37923717"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09574"
                           xFract="0.24831043"
                           y3="4.20948"
                           yFract="0.49875355"
                           z3="4.24227"
                           zFract="0.19092124"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0850"
                           xFract="0.24703791"
                           y3="6.34441"
                           yFract="0.75170735"
                           z3="6.34137"
                           zFract="0.28539019"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09418"
                           xFract="0.24812559"
                           y3="0.00662"
                           yFract="0.00078436"
                           z3="4.20129"
                           zFract="0.18907696"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25733"
                           xFract="0.50442299"
                           y3="0.04071"
                           yFract="0.00482346"
                           z3="6.31286"
                           zFract="0.28410711"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3546"
                           xFract="0.75291469"
                           y3="2.12282"
                           yFract="0.25151896"
                           z3="6.41367"
                           zFract="0.28864401"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.21372"
                           xFract="0.73622275"
                           y3="4.1160"
                           yFract="0.48767773"
                           z3="8.60873"
                           zFract="0.38743159"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2431"
                           xFract="0.50273697"
                           y3="2.12023"
                           yFract="0.25121209"
                           z3="8.58789"
                           zFract="0.3864937"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42297"
                           xFract="0.99798223"
                           y3="6.31902"
                           yFract="0.74869905"
                           z3="4.23864"
                           zFract="0.19075788"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40587"
                           xFract="0.99595616"
                           y3="4.23645"
                           yFract="0.50194905"
                           z3="6.34745"
                           zFract="0.28566382"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22669"
                           xFract="0.50079265"
                           y3="2.11312"
                           yFract="0.25036967"
                           z3="4.18073"
                           zFract="0.18815167"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12317"
                           xFract="0.25156043"
                           y3="2.10142"
                           yFract="0.24898341"
                           z3="6.34946"
                           zFract="0.28575428"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35789"
                           xFract="0.7533045"
                           y3="4.20049"
                           yFract="0.49768839"
                           z3="4.2450"
                           zFract="0.1910441"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2506"
                           xFract="0.50362559"
                           y3="6.33482"
                           yFract="0.75057109"
                           z3="8.46547"
                           zFract="0.38098425"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26684"
                           xFract="0.50554976"
                           y3="4.17252"
                           yFract="0.49437441"
                           z3="6.38364"
                           zFract="0.28729253"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13474"
                           xFract="0.25293128"
                           y3="0.01262"
                           yFract="0.00149526"
                           z3="8.40914"
                           zFract="0.37844914"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34101"
                           xFract="0.7513045"
                           y3="0.02726"
                           yFract="0.00322986"
                           z3="8.49177"
                           zFract="0.38216787"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31635"
                           xFract="0.98534953"
                           y3="2.07536"
                           yFract="0.24589573"
                           z3="6.32754"
                           zFract="0.28476778"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14305"
                           xFract="0.25391588"
                           y3="8.41532"
                           yFract="0.99707583"
                           z3="6.28386"
                           zFract="0.28280198"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00109"
                           xFract="0.00012915"
                           y3="0.0113"
                           yFract="0.00133886"
                           z3="4.25427"
                           zFract="0.1914613"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43534"
                           xFract="0.99944787"
                           y3="0.04739"
                           yFract="0.00561493"
                           z3="8.3870"
                           zFract="0.37745275"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09279"
                           xFract="0.2479609"
                           y3="2.10972"
                           yFract="0.24996682"
                           z3="4.2694"
                           zFract="0.19214221"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00674"
                           xFract="0.2377654"
                           y3="2.08925"
                           yFract="0.24754147"
                           z3="8.44522"
                           zFract="0.38007291"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38743"
                           xFract="0.51983768"
                           y3="2.10835"
                           yFract="0.2498045"
                           z3="6.21249"
                           zFract="0.27959001"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34392"
                           xFract="0.75164929"
                           y3="8.34292"
                           yFract="0.98849763"
                           z3="6.29937"
                           zFract="0.2835"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21278"
                           xFract="0.49914455"
                           y3="8.31838"
                           yFract="0.98559005"
                           z3="4.19564"
                           zFract="0.18882268"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26789"
                           xFract="0.50567417"
                           y3="0.00726"
                           yFract="0.00086019"
                           z3="8.45274"
                           zFract="0.38041134"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34151"
                           xFract="0.75136374"
                           y3="2.07392"
                           yFract="0.24572512"
                           z3="4.07657"
                           zFract="0.183464"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.51118"
                           xFract="0.77146682"
                           y3="2.10774"
                           yFract="0.24973223"
                           z3="8.69266"
                           zFract="0.39120882"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42125"
                           xFract="0.99777844"
                           y3="6.40662"
                           yFract="0.7590782"
                           z3="6.35338"
                           zFract="0.28593069"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96685"
                           xFract="0.2330391"
                           y3="4.2609"
                           yFract="0.50484597"
                           z3="6.37169"
                           zFract="0.28675473"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02707"
                           xFract="0.00320735"
                           y3="4.19366"
                           yFract="0.49687915"
                           z3="4.11315"
                           zFract="0.18511026"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.1548"
                           xFract="0.01834123"
                           y3="4.17901"
                           yFract="0.49514336"
                           z3="9.12356"
                           zFract="0.41060126"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21892"
                           xFract="0.26290521"
                           y3="6.32583"
                           yFract="0.74950592"
                           z3="4.2574"
                           zFract="0.19160216"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05571"
                           xFract="0.24356754"
                           y3="6.33905"
                           yFract="0.75107227"
                           z3="8.45184"
                           zFract="0.38037084"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23153"
                           xFract="0.50136611"
                           y3="6.34766"
                           yFract="0.75209242"
                           z3="6.26251"
                           zFract="0.28184113"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42909"
                           xFract="0.76174052"
                           y3="4.33287"
                           yFract="0.51337322"
                           z3="6.30899"
                           zFract="0.28393294"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19391"
                           xFract="0.49690877"
                           y3="4.3645"
                           yFract="0.51712085"
                           z3="4.27691"
                           zFract="0.1924802"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13721"
                           xFract="0.49019076"
                           y3="4.23298"
                           yFract="0.50153791"
                           z3="8.4918"
                           zFract="0.38216922"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18603"
                           xFract="0.73294194"
                           y3="6.3627"
                           yFract="0.75387441"
                           z3="4.21799"
                           zFract="0.18982853"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40235"
                           xFract="0.75857227"
                           y3="6.29381"
                           yFract="0.74571209"
                           z3="8.44395"
                           zFract="0.38001575"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02413"
                           xFract="-0.002859"
                           y3="4.1760"
                           yFract="0.49478673"
                           z3="10.08079"
                           zFract="0.45368092"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01354"
                           xFract="-0.00160427"
                           y3="6.34929"
                           yFract="0.75228555"
                           z3="8.48357"
                           zFract="0.38179883"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33935"
                           xFract="0.75110782"
                           y3="0.01454"
                           yFract="0.00172275"
                           z3="4.23593"
                           zFract="0.19063591"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00298"
                           xFract="0.00035308"
                           y3="2.07386"
                           yFract="0.24571801"
                           z3="8.53047"
                           zFract="0.38390954"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34372"
                           xFract="0.75162559"
                           y3="6.33797"
                           yFract="0.75094431"
                           z3="6.34853"
                           zFract="0.28571242"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20822"
                           xFract="0.49860427"
                           y3="6.34027"
                           yFract="0.75121682"
                           z3="4.21214"
                           zFract="0.18956526"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43567"
                           xFract="0.99948697"
                           y3="0.01997"
                           yFract="0.00236611"
                           z3="6.34665"
                           zFract="0.28562781"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41943"
                           xFract="0.9975628"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="4.22805"
                           zFract="0.19028128"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10293"
                           xFract="0.24916232"
                           y3="4.19529"
                           yFract="0.49707227"
                           z3="8.42923"
                           zFract="0.37935329"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09545"
                           xFract="0.24827607"
                           y3="4.20967"
                           yFract="0.49877607"
                           z3="4.24279"
                           zFract="0.19094464"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08485"
                           xFract="0.24702014"
                           y3="6.34446"
                           yFract="0.75171327"
                           z3="6.34292"
                           zFract="0.28545995"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09476"
                           xFract="0.24819431"
                           y3="0.00671"
                           yFract="0.00079502"
                           z3="4.20229"
                           zFract="0.18912196"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25784"
                           xFract="0.50448341"
                           y3="0.04104"
                           yFract="0.00486256"
                           z3="6.31251"
                           zFract="0.28409136"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35448"
                           xFract="0.75290047"
                           y3="2.12292"
                           yFract="0.25153081"
                           z3="6.41479"
                           zFract="0.28869442"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.21608"
                           xFract="0.73650237"
                           y3="4.11601"
                           yFract="0.48767891"
                           z3="8.60979"
                           zFract="0.3874793"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2429"
                           xFract="0.50271327"
                           y3="2.11978"
                           yFract="0.25115877"
                           z3="8.58741"
                           zFract="0.3864721"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42287"
                           xFract="0.99797038"
                           y3="6.31837"
                           yFract="0.74862204"
                           z3="4.23919"
                           zFract="0.19078263"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40509"
                           xFract="0.99586374"
                           y3="4.23607"
                           yFract="0.50190403"
                           z3="6.34918"
                           zFract="0.28574167"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22701"
                           xFract="0.50083057"
                           y3="2.11319"
                           yFract="0.25037796"
                           z3="4.18053"
                           zFract="0.18814266"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12307"
                           xFract="0.25154858"
                           y3="2.10223"
                           yFract="0.24907938"
                           z3="6.35078"
                           zFract="0.28581368"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35791"
                           xFract="0.75330687"
                           y3="4.20078"
                           yFract="0.49772275"
                           z3="4.24569"
                           zFract="0.19107516"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25117"
                           xFract="0.50369313"
                           y3="6.33543"
                           yFract="0.75064336"
                           z3="8.4655"
                           zFract="0.3809856"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26617"
                           xFract="0.50547038"
                           y3="4.17252"
                           yFract="0.49437441"
                           z3="6.38365"
                           zFract="0.28729298"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13514"
                           xFract="0.25297867"
                           y3="0.0123"
                           yFract="0.00145735"
                           z3="8.40906"
                           zFract="0.37844554"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34117"
                           xFract="0.75132346"
                           y3="0.02705"
                           yFract="0.00320498"
                           z3="8.49179"
                           zFract="0.38216877"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31599"
                           xFract="0.98530687"
                           y3="2.07422"
                           yFract="0.24576066"
                           z3="6.32751"
                           zFract="0.28476643"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14403"
                           xFract="0.25403199"
                           y3="8.41547"
                           yFract="0.9970936"
                           z3="6.28428"
                           zFract="0.28282088"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00138"
                           xFract="0.00016351"
                           y3="0.0117"
                           yFract="0.00138626"
                           z3="4.25503"
                           zFract="0.1914955"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43491"
                           xFract="0.99939692"
                           y3="0.0472"
                           yFract="0.00559242"
                           z3="8.38718"
                           zFract="0.37746085"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09307"
                           xFract="0.24799408"
                           y3="2.10964"
                           yFract="0.24995735"
                           z3="4.26994"
                           zFract="0.19216652"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00512"
                           xFract="0.23757346"
                           y3="2.08876"
                           yFract="0.24748341"
                           z3="8.44585"
                           zFract="0.38010126"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38787"
                           xFract="0.51988981"
                           y3="2.10778"
                           yFract="0.24973697"
                           z3="6.21269"
                           zFract="0.27959901"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3436"
                           xFract="0.75161137"
                           y3="8.34293"
                           yFract="0.98849882"
                           z3="6.2999"
                           zFract="0.28352385"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21282"
                           xFract="0.49914929"
                           y3="8.31814"
                           yFract="0.98556161"
                           z3="4.19606"
                           zFract="0.18884158"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26765"
                           xFract="0.50564573"
                           y3="0.00609"
                           yFract="0.00072156"
                           z3="8.45281"
                           zFract="0.38041449"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34156"
                           xFract="0.75136967"
                           y3="2.0743"
                           yFract="0.24577014"
                           z3="4.07608"
                           zFract="0.18344194"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.51205"
                           xFract="0.77156991"
                           y3="2.10674"
                           yFract="0.24961374"
                           z3="8.69629"
                           zFract="0.39137219"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.42044"
                           xFract="0.99768246"
                           y3="6.40873"
                           yFract="0.7593282"
                           z3="6.35507"
                           zFract="0.28600675"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96627"
                           xFract="0.23297038"
                           y3="4.2612"
                           yFract="0.50488152"
                           z3="6.37249"
                           zFract="0.28679073"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02649"
                           xFract="0.00313863"
                           y3="4.19371"
                           yFract="0.49688507"
                           z3="4.11376"
                           zFract="0.18513771"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.15579"
                           xFract="0.01845853"
                           y3="4.17988"
                           yFract="0.49524645"
                           z3="9.13046"
                           zFract="0.41091179"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21839"
                           xFract="0.26284242"
                           y3="6.3263"
                           yFract="0.74956161"
                           z3="4.25786"
                           zFract="0.19162286"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05593"
                           xFract="0.2435936"
                           y3="6.33899"
                           yFract="0.75106517"
                           z3="8.45246"
                           zFract="0.38039874"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23129"
                           xFract="0.50133768"
                           y3="6.34778"
                           yFract="0.75210664"
                           z3="6.26222"
                           zFract="0.28182808"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42849"
                           xFract="0.76166943"
                           y3="4.33301"
                           yFract="0.51338981"
                           z3="6.30983"
                           zFract="0.28397075"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19392"
                           xFract="0.49690995"
                           y3="4.36473"
                           yFract="0.5171481"
                           z3="4.27715"
                           zFract="0.192491"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13796"
                           xFract="0.49027962"
                           y3="4.23323"
                           yFract="0.50156754"
                           z3="8.49238"
                           zFract="0.38219532"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18631"
                           xFract="0.73297512"
                           y3="6.36274"
                           yFract="0.75387915"
                           z3="4.21778"
                           zFract="0.18981908"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40171"
                           xFract="0.75849645"
                           y3="6.29208"
                           yFract="0.74550711"
                           z3="8.44433"
                           zFract="0.38003285"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.02261"
                           xFract="-0.00267891"
                           y3="4.1758"
                           yFract="0.49476303"
                           z3="10.08496"
                           zFract="0.45386859"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01421"
                           xFract="-0.00168365"
                           y3="6.34838"
                           yFract="0.75217773"
                           z3="8.48392"
                           zFract="0.38181458"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33912"
                           xFract="0.75108057"
                           y3="0.01459"
                           yFract="0.00172867"
                           z3="4.23613"
                           zFract="0.19064491"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00263"
                           xFract="0.00031161"
                           y3="2.07422"
                           yFract="0.24576066"
                           z3="8.53205"
                           zFract="0.38398065"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34359"
                           xFract="0.75161019"
                           y3="6.33805"
                           yFract="0.75095379"
                           z3="6.3492"
                           zFract="0.28574257"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2082"
                           xFract="0.4986019"
                           y3="6.34057"
                           yFract="0.75125237"
                           z3="4.21263"
                           zFract="0.18958731"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43593"
                           xFract="0.99951777"
                           y3="0.02064"
                           yFract="0.0024455"
                           z3="6.34845"
                           zFract="0.28570882"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41951"
                           xFract="0.99757227"
                           y3="2.10966"
                           yFract="0.24995972"
                           z3="4.22783"
                           zFract="0.19027138"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10373"
                           xFract="0.24925711"
                           y3="4.19566"
                           yFract="0.49711611"
                           z3="8.4314"
                           zFract="0.37945095"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09517"
                           xFract="0.24824289"
                           y3="4.20983"
                           yFract="0.49879502"
                           z3="4.24301"
                           zFract="0.19095455"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08463"
                           xFract="0.24699408"
                           y3="6.34451"
                           yFract="0.75171919"
                           z3="6.34423"
                           zFract="0.2855189"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09521"
                           xFract="0.24824763"
                           y3="0.00681"
                           yFract="0.00080687"
                           z3="4.20331"
                           zFract="0.18916787"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25815"
                           xFract="0.50452014"
                           y3="0.04133"
                           yFract="0.00489692"
                           z3="6.3119"
                           zFract="0.28406391"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35428"
                           xFract="0.75287678"
                           y3="2.12296"
                           yFract="0.25153555"
                           z3="6.41577"
                           zFract="0.28873852"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.21817"
                           xFract="0.73675"
                           y3="4.11602"
                           yFract="0.48768009"
                           z3="8.61078"
                           zFract="0.38752385"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24281"
                           xFract="0.50270261"
                           y3="2.11941"
                           yFract="0.25111493"
                           z3="8.58706"
                           zFract="0.38645635"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42284"
                           xFract="0.99796682"
                           y3="6.31788"
                           yFract="0.74856398"
                           z3="4.23962"
                           zFract="0.19080198"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40454"
                           xFract="0.99579858"
                           y3="4.23578"
                           yFract="0.50186967"
                           z3="6.35047"
                           zFract="0.28579973"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22721"
                           xFract="0.50085427"
                           y3="2.11317"
                           yFract="0.25037559"
                           z3="4.18039"
                           zFract="0.18813636"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1229"
                           xFract="0.25152844"
                           y3="2.10293"
                           yFract="0.24916232"
                           z3="6.35209"
                           zFract="0.28587264"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35795"
                           xFract="0.75331161"
                           y3="4.20102"
                           yFract="0.49775118"
                           z3="4.24612"
                           zFract="0.19109451"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25153"
                           xFract="0.50373578"
                           y3="6.33573"
                           yFract="0.75067891"
                           z3="8.46559"
                           zFract="0.38098965"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26567"
                           xFract="0.50541114"
                           y3="4.17258"
                           yFract="0.49438152"
                           z3="6.38391"
                           zFract="0.28730468"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13534"
                           xFract="0.25300237"
                           y3="0.01201"
                           yFract="0.00142299"
                           z3="8.40923"
                           zFract="0.3784532"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34141"
                           xFract="0.7513519"
                           y3="0.02688"
                           yFract="0.00318483"
                           z3="8.49184"
                           zFract="0.38217102"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.3157"
                           xFract="0.98527251"
                           y3="2.07307"
                           yFract="0.24562441"
                           z3="6.32737"
                           zFract="0.28476013"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14494"
                           xFract="0.25413981"
                           y3="8.41564"
                           yFract="0.99711374"
                           z3="6.28454"
                           zFract="0.28283258"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00153"
                           xFract="0.00018128"
                           y3="0.0120"
                           yFract="0.0014218"
                           z3="4.25555"
                           zFract="0.1915189"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.43441"
                           xFract="0.99933768"
                           y3="0.04699"
                           yFract="0.00556754"
                           z3="8.38727"
                           zFract="0.3774649"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0934"
                           xFract="0.24803318"
                           y3="2.10964"
                           yFract="0.24995735"
                           z3="4.27051"
                           zFract="0.19219217"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00351"
                           xFract="0.2373827"
                           y3="2.0884"
                           yFract="0.24744076"
                           z3="8.4464"
                           zFract="0.38012601"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38822"
                           xFract="0.51993128"
                           y3="2.1073"
                           yFract="0.24968009"
                           z3="6.21298"
                           zFract="0.27961206"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3432"
                           xFract="0.75156398"
                           y3="8.3429"
                           yFract="0.98849526"
                           z3="6.30029"
                           zFract="0.2835414"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21292"
                           xFract="0.49916114"
                           y3="8.31795"
                           yFract="0.9855391"
                           z3="4.19642"
                           zFract="0.18885779"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26734"
                           xFract="0.505609"
                           y3="0.00509"
                           yFract="0.00060308"
                           z3="8.45291"
                           zFract="0.38041899"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34151"
                           xFract="0.75136374"
                           y3="2.07463"
                           yFract="0.24580924"
                           z3="4.07564"
                           zFract="0.18342214"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.51276"
                           xFract="0.77165403"
                           y3="2.10603"
                           yFract="0.24952962"
                           z3="8.69955"
                           zFract="0.3915189"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41966"
                           xFract="0.99759005"
                           y3="6.41052"
                           yFract="0.75954028"
                           z3="6.35654"
                           zFract="0.28607291"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96577"
                           xFract="0.23291114"
                           y3="4.26139"
                           yFract="0.50490403"
                           z3="6.37352"
                           zFract="0.28683708"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02592"
                           xFract="0.00307109"
                           y3="4.19367"
                           yFract="0.49688033"
                           z3="4.11424"
                           zFract="0.18515932"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.1571"
                           xFract="0.01861374"
                           y3="4.18051"
                           yFract="0.49532109"
                           z3="9.13405"
                           zFract="0.41107336"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21778"
                           xFract="0.26277014"
                           y3="6.32678"
                           yFract="0.74961848"
                           z3="4.25837"
                           zFract="0.19164581"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05637"
                           xFract="0.24364573"
                           y3="6.33919"
                           yFract="0.75108886"
                           z3="8.45287"
                           zFract="0.38041719"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23111"
                           xFract="0.50131635"
                           y3="6.34781"
                           yFract="0.75211019"
                           z3="6.26214"
                           zFract="0.28182448"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42816"
                           xFract="0.76163033"
                           y3="4.33305"
                           yFract="0.51339455"
                           z3="6.31052"
                           zFract="0.2840018"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19392"
                           xFract="0.49690995"
                           y3="4.36503"
                           yFract="0.51718365"
                           z3="4.2771"
                           zFract="0.19248875"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13811"
                           xFract="0.49029739"
                           y3="4.23341"
                           yFract="0.50158886"
                           z3="8.49284"
                           zFract="0.38221602"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18656"
                           xFract="0.73300474"
                           y3="6.36276"
                           yFract="0.75388152"
                           z3="4.21761"
                           zFract="0.18981143"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40126"
                           xFract="0.75844313"
                           y3="6.29078"
                           yFract="0.74535308"
                           z3="8.44464"
                           zFract="0.3800468"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.01805"
                           xFract="-0.00213863"
                           y3="4.17521"
                           yFract="0.49469313"
                           z3="10.0975"
                           zFract="0.45443294"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01623"
                           xFract="-0.00192299"
                           y3="6.34566"
                           yFract="0.75185545"
                           z3="8.4850"
                           zFract="0.38186319"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33844"
                           xFract="0.7510"
                           y3="0.01474"
                           yFract="0.00174645"
                           z3="4.23673"
                           zFract="0.19067192"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00161"
                           xFract="0.00019076"
                           y3="2.07531"
                           yFract="0.24588981"
                           z3="8.5368"
                           zFract="0.38419442"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34319"
                           xFract="0.7515628"
                           y3="6.33829"
                           yFract="0.75098223"
                           z3="6.35121"
                           zFract="0.28583303"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20815"
                           xFract="0.49859597"
                           y3="6.34145"
                           yFract="0.75135664"
                           z3="4.21411"
                           zFract="0.18965392"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43669"
                           xFract="0.99960782"
                           y3="0.02266"
                           yFract="0.00268483"
                           z3="6.35386"
                           zFract="0.2859523"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41975"
                           xFract="0.99760071"
                           y3="2.11035"
                           yFract="0.25004147"
                           z3="4.22719"
                           zFract="0.19024257"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10615"
                           xFract="0.24954384"
                           y3="4.19677"
                           yFract="0.49724763"
                           z3="8.43792"
                           zFract="0.37974437"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09431"
                           xFract="0.248141"
                           y3="4.21032"
                           yFract="0.49885308"
                           z3="4.24365"
                           zFract="0.19098335"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08397"
                           xFract="0.24691588"
                           y3="6.34464"
                           yFract="0.7517346"
                           z3="6.34817"
                           zFract="0.28569622"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09655"
                           xFract="0.2484064"
                           y3="0.00714"
                           yFract="0.00084597"
                           z3="4.20635"
                           zFract="0.18930468"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2591"
                           xFract="0.5046327"
                           y3="0.04221"
                           yFract="0.00500118"
                           z3="6.31008"
                           zFract="0.283982"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35367"
                           xFract="0.7528045"
                           y3="2.12309"
                           yFract="0.25155095"
                           z3="6.41873"
                           zFract="0.28887174"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.22447"
                           xFract="0.73749645"
                           y3="4.11606"
                           yFract="0.48768483"
                           z3="8.61374"
                           zFract="0.38765707"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24255"
                           xFract="0.5026718"
                           y3="2.1183"
                           yFract="0.25098341"
                           z3="8.58602"
                           zFract="0.38640954"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42274"
                           xFract="0.99795498"
                           y3="6.31642"
                           yFract="0.748391"
                           z3="4.24092"
                           zFract="0.19086049"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4029"
                           xFract="0.99560427"
                           y3="4.2349"
                           yFract="0.5017654"
                           z3="6.35436"
                           zFract="0.2859748"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22782"
                           xFract="0.50092654"
                           y3="2.1131"
                           yFract="0.2503673"
                           z3="4.17999"
                           zFract="0.18811836"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12238"
                           xFract="0.25146682"
                           y3="2.10502"
                           yFract="0.24940995"
                           z3="6.35603"
                           zFract="0.28604995"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35807"
                           xFract="0.75332583"
                           y3="4.20173"
                           yFract="0.49783531"
                           z3="4.24738"
                           zFract="0.19115122"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25261"
                           xFract="0.50386374"
                           y3="6.33662"
                           yFract="0.75078436"
                           z3="8.46587"
                           zFract="0.38100225"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26416"
                           xFract="0.50523223"
                           y3="4.17274"
                           yFract="0.49440047"
                           z3="6.38469"
                           zFract="0.28733978"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13593"
                           xFract="0.25307227"
                           y3="0.01112"
                           yFract="0.00131754"
                           z3="8.40974"
                           zFract="0.37847615"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34213"
                           xFract="0.7514372"
                           y3="0.02637"
                           yFract="0.00312441"
                           z3="8.49196"
                           zFract="0.38217642"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31484"
                           xFract="0.98517062"
                           y3="2.0696"
                           yFract="0.24521327"
                           z3="6.32695"
                           zFract="0.28474122"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14766"
                           xFract="0.25446209"
                           y3="8.41615"
                           yFract="0.99717417"
                           z3="6.28532"
                           zFract="0.28286769"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0020"
                           xFract="0.00023697"
                           y3="0.01289"
                           yFract="0.00152725"
                           z3="4.25711"
                           zFract="0.19158911"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.4329"
                           xFract="0.99915877"
                           y3="0.04638"
                           yFract="0.00549526"
                           z3="8.38755"
                           zFract="0.3774775"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0944"
                           xFract="0.24815166"
                           y3="2.10965"
                           yFract="0.24995853"
                           z3="4.27222"
                           zFract="0.19226913"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99867"
                           xFract="0.23680924"
                           y3="2.08729"
                           yFract="0.24730924"
                           z3="8.44807"
                           zFract="0.38020117"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.38928"
                           xFract="0.52005687"
                           y3="2.10585"
                           yFract="0.24950829"
                           z3="6.21386"
                           zFract="0.27965167"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34199"
                           xFract="0.75142062"
                           y3="8.34283"
                           yFract="0.98848697"
                           z3="6.30147"
                           zFract="0.28359451"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21322"
                           xFract="0.49919668"
                           y3="8.31736"
                           yFract="0.98546919"
                           z3="4.1975"
                           zFract="0.18890639"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2664"
                           xFract="0.50549763"
                           y3="0.00209"
                           yFract="0.00024763"
                           z3="8.45323"
                           zFract="0.38043339"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34137"
                           xFract="0.75134716"
                           y3="2.0756"
                           yFract="0.24592417"
                           z3="4.07429"
                           zFract="0.18336139"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.5149"
                           xFract="0.77190758"
                           y3="2.10389"
                           yFract="0.24927607"
                           z3="8.70933"
                           zFract="0.39195905"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41732"
                           xFract="0.9973128"
                           y3="6.41586"
                           yFract="0.76017299"
                           z3="6.36094"
                           zFract="0.28627093"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96426"
                           xFract="0.23273223"
                           y3="4.26196"
                           yFract="0.50497156"
                           z3="6.37659"
                           zFract="0.28697525"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0242"
                           xFract="0.0028673"
                           y3="4.19354"
                           yFract="0.49686493"
                           z3="4.11568"
                           zFract="0.18522412"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.16105"
                           xFract="0.01908175"
                           y3="4.18238"
                           yFract="0.49554265"
                           z3="9.14481"
                           zFract="0.41155761"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21593"
                           xFract="0.26255095"
                           y3="6.32822"
                           yFract="0.7497891"
                           z3="4.2599"
                           zFract="0.19171467"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0577"
                           xFract="0.24380332"
                           y3="6.3398"
                           yFract="0.75116114"
                           z3="8.45409"
                           zFract="0.3804721"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23058"
                           xFract="0.50125355"
                           y3="6.34788"
                           yFract="0.75211848"
                           z3="6.2619"
                           zFract="0.28181368"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42719"
                           xFract="0.7615154"
                           y3="4.33318"
                           yFract="0.51340995"
                           z3="6.31259"
                           zFract="0.28409496"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19394"
                           xFract="0.49691232"
                           y3="4.36592"
                           yFract="0.5172891"
                           z3="4.27694"
                           zFract="0.19248155"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13856"
                           xFract="0.49035071"
                           y3="4.23398"
                           yFract="0.5016564"
                           z3="8.49421"
                           zFract="0.38227768"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18731"
                           xFract="0.7330936"
                           y3="6.36284"
                           yFract="0.753891"
                           z3="4.21711"
                           zFract="0.18978893"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39994"
                           xFract="0.75828673"
                           y3="6.28686"
                           yFract="0.74488863"
                           z3="8.44559"
                           zFract="0.38008956"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.00892"
                           xFract="-0.00105687"
                           y3="4.17403"
                           yFract="0.49455332"
                           z3="10.12257"
                           zFract="0.45556121"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02026"
                           xFract="-0.00240047"
                           y3="6.34021"
                           yFract="0.75120972"
                           z3="8.48716"
                           zFract="0.3819604"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33707"
                           xFract="0.75083768"
                           y3="0.01504"
                           yFract="0.00178199"
                           z3="4.23792"
                           zFract="0.19072547"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00043"
                           xFract="-0.00005095"
                           y3="2.07748"
                           yFract="0.24614692"
                           z3="8.5463"
                           zFract="0.38462196"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3424"
                           xFract="0.75146919"
                           y3="6.33878"
                           yFract="0.75104028"
                           z3="6.35524"
                           zFract="0.2860144"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20804"
                           xFract="0.49858294"
                           y3="6.34322"
                           yFract="0.75156635"
                           z3="4.21707"
                           zFract="0.18978713"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43821"
                           xFract="0.99978791"
                           y3="0.02669"
                           yFract="0.00316232"
                           z3="6.36466"
                           zFract="0.28643834"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42023"
                           xFract="0.99765758"
                           y3="2.11173"
                           yFract="0.25020498"
                           z3="4.2259"
                           zFract="0.19018452"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11097"
                           xFract="0.25011493"
                           y3="4.1990"
                           yFract="0.49751185"
                           z3="8.45095"
                           zFract="0.38033078"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09259"
                           xFract="0.2479372"
                           y3="4.21129"
                           yFract="0.49896801"
                           z3="4.24495"
                           zFract="0.19104185"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08265"
                           xFract="0.24675948"
                           y3="6.34492"
                           yFract="0.75176777"
                           z3="6.35603"
                           zFract="0.28604995"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09923"
                           xFract="0.24872393"
                           y3="0.00779"
                           yFract="0.00092299"
                           z3="4.21242"
                           zFract="0.18957786"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26099"
                           xFract="0.50485664"
                           y3="0.04397"
                           yFract="0.00520972"
                           z3="6.30645"
                           zFract="0.28381863"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35245"
                           xFract="0.75265995"
                           y3="2.12335"
                           yFract="0.25158175"
                           z3="6.42464"
                           zFract="0.28913771"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.23705"
                           xFract="0.73898697"
                           y3="4.11615"
                           yFract="0.4876955"
                           z3="8.61967"
                           zFract="0.38792394"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24202"
                           xFract="0.502609"
                           y3="2.11609"
                           yFract="0.25072156"
                           z3="8.58395"
                           zFract="0.38631638"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42255"
                           xFract="0.99793246"
                           y3="6.3135"
                           yFract="0.74804502"
                           z3="4.24352"
                           zFract="0.1909775"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39961"
                           xFract="0.99521445"
                           y3="4.23315"
                           yFract="0.50155806"
                           z3="6.36213"
                           zFract="0.28632448"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22904"
                           xFract="0.50107109"
                           y3="2.11297"
                           yFract="0.2503519"
                           z3="4.17919"
                           zFract="0.18808236"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12135"
                           xFract="0.25134479"
                           y3="2.1092"
                           yFract="0.24990521"
                           z3="6.36391"
                           zFract="0.28640459"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3583"
                           xFract="0.75335308"
                           y3="4.20317"
                           yFract="0.49800592"
                           z3="4.24992"
                           zFract="0.19126553"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25477"
                           xFract="0.50411967"
                           y3="6.3384"
                           yFract="0.75099526"
                           z3="8.46643"
                           zFract="0.38102745"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26113"
                           xFract="0.50487322"
                           y3="4.17308"
                           yFract="0.49444076"
                           z3="6.38625"
                           zFract="0.28740999"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1371"
                           xFract="0.2532109"
                           y3="0.00934"
                           yFract="0.00110664"
                           z3="8.41075"
                           zFract="0.3785216"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34357"
                           xFract="0.75160782"
                           y3="0.02537"
                           yFract="0.00300592"
                           z3="8.49222"
                           zFract="0.38218812"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31313"
                           xFract="0.98496801"
                           y3="2.06268"
                           yFract="0.24439336"
                           z3="6.3261"
                           zFract="0.28470297"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15311"
                           xFract="0.25510782"
                           y3="8.41716"
                           yFract="0.99729384"
                           z3="6.28688"
                           zFract="0.28293789"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00292"
                           xFract="0.00034597"
                           y3="0.01469"
                           yFract="0.00174052"
                           z3="4.26021"
                           zFract="0.19172862"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42988"
                           xFract="0.99880095"
                           y3="0.04516"
                           yFract="0.00535071"
                           z3="8.38811"
                           zFract="0.3775027"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09641"
                           xFract="0.24838981"
                           y3="2.10966"
                           yFract="0.24995972"
                           z3="4.27565"
                           zFract="0.19242349"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98901"
                           xFract="0.23566469"
                           y3="2.08507"
                           yFract="0.24704621"
                           z3="8.45139"
                           zFract="0.38035059"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3914"
                           xFract="0.52030806"
                           y3="2.10294"
                           yFract="0.24916351"
                           z3="6.2156"
                           zFract="0.27972997"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33958"
                           xFract="0.75113507"
                           y3="8.34268"
                           yFract="0.98846919"
                           z3="6.30381"
                           zFract="0.28369982"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21382"
                           xFract="0.49926777"
                           y3="8.31619"
                           yFract="0.98533057"
                           z3="4.19966"
                           zFract="0.1890036"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26453"
                           xFract="0.50527607"
                           y3="-0.0039"
                           yFract="-0.00046209"
                           z3="8.45387"
                           zFract="0.3804622"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34109"
                           xFract="0.75131398"
                           y3="2.07755"
                           yFract="0.24615521"
                           z3="4.0716"
                           zFract="0.18324032"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.51917"
                           xFract="0.77241351"
                           y3="2.0996"
                           yFract="0.24876777"
                           z3="8.72889"
                           zFract="0.39283933"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41265"
                           xFract="0.99675948"
                           y3="6.42656"
                           yFract="0.76144076"
                           z3="6.36973"
                           zFract="0.28666652"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96123"
                           xFract="0.23237322"
                           y3="4.26311"
                           yFract="0.50510782"
                           z3="6.38274"
                           zFract="0.28725203"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02075"
                           xFract="0.00245853"
                           y3="4.19329"
                           yFract="0.49683531"
                           z3="4.11855"
                           zFract="0.18535329"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.16895"
                           xFract="0.02001777"
                           y3="4.18613"
                           yFract="0.49598697"
                           z3="9.16632"
                           zFract="0.41252565"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21222"
                           xFract="0.26211137"
                           y3="6.33109"
                           yFract="0.75012915"
                           z3="4.26297"
                           zFract="0.19185284"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06034"
                           xFract="0.24411611"
                           y3="6.34102"
                           yFract="0.75130569"
                           z3="8.45652"
                           zFract="0.38058146"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22953"
                           xFract="0.50112915"
                           y3="6.34804"
                           yFract="0.75213744"
                           z3="6.26141"
                           zFract="0.28179163"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42525"
                           xFract="0.76128555"
                           y3="4.33343"
                           yFract="0.51343957"
                           z3="6.31673"
                           zFract="0.28428128"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19399"
                           xFract="0.49691825"
                           y3="4.3677"
                           yFract="0.5175"
                           z3="4.27662"
                           zFract="0.19246715"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13946"
                           xFract="0.49045735"
                           y3="4.2351"
                           yFract="0.5017891"
                           z3="8.49695"
                           zFract="0.38240099"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18882"
                           xFract="0.73327251"
                           y3="6.36299"
                           yFract="0.75390877"
                           z3="4.2161"
                           zFract="0.18974347"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39728"
                           xFract="0.75797156"
                           y3="6.27903"
                           yFract="0.7439609"
                           z3="8.44748"
                           zFract="0.38017462"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.00836"
                           xFract="-0.00099052"
                           y3="4.17424"
                           yFract="0.4945782"
                           z3="10.1256"
                           zFract="0.45569757"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01959"
                           xFract="-0.00232109"
                           y3="6.3402"
                           yFract="0.75120853"
                           z3="8.48758"
                           zFract="0.3819793"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33801"
                           xFract="0.75094905"
                           y3="0.01525"
                           yFract="0.00180687"
                           z3="4.23835"
                           zFract="0.19074482"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00028"
                           xFract="0.00003318"
                           y3="2.07685"
                           yFract="0.24607227"
                           z3="8.54719"
                           zFract="0.38466202"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34235"
                           xFract="0.75146327"
                           y3="6.33862"
                           yFract="0.75102133"
                           z3="6.35524"
                           zFract="0.2860144"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20775"
                           xFract="0.49854858"
                           y3="6.34273"
                           yFract="0.75150829"
                           z3="4.21689"
                           zFract="0.18977903"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43791"
                           xFract="0.99975237"
                           y3="0.02676"
                           yFract="0.00317062"
                           z3="6.3633"
                           zFract="0.28637714"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4205"
                           xFract="0.99768957"
                           y3="2.11097"
                           yFract="0.25011493"
                           z3="4.22576"
                           zFract="0.19017822"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11129"
                           xFract="0.25015284"
                           y3="4.19858"
                           yFract="0.49746209"
                           z3="8.45081"
                           zFract="0.38032448"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09252"
                           xFract="0.24792891"
                           y3="4.21143"
                           yFract="0.4989846"
                           z3="4.24475"
                           zFract="0.19103285"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08215"
                           xFract="0.24670024"
                           y3="6.34496"
                           yFract="0.75177251"
                           z3="6.35562"
                           zFract="0.2860315"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09842"
                           xFract="0.24862796"
                           y3="0.00791"
                           yFract="0.0009372"
                           z3="4.21239"
                           zFract="0.18957651"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26044"
                           xFract="0.50479147"
                           y3="0.04356"
                           yFract="0.00516114"
                           z3="6.30649"
                           zFract="0.28382043"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3527"
                           xFract="0.75268957"
                           y3="2.12321"
                           yFract="0.25156517"
                           z3="6.4248"
                           zFract="0.28914491"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.23726"
                           xFract="0.73901185"
                           y3="4.11561"
                           yFract="0.48763152"
                           z3="8.61987"
                           zFract="0.38793294"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24246"
                           xFract="0.50266114"
                           y3="2.11617"
                           yFract="0.25073104"
                           z3="8.58411"
                           zFract="0.38632358"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42266"
                           xFract="0.9979455"
                           y3="6.31423"
                           yFract="0.74813152"
                           z3="4.24377"
                           zFract="0.19098875"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40012"
                           xFract="0.99527488"
                           y3="4.23316"
                           yFract="0.50155924"
                           z3="6.36216"
                           zFract="0.28632583"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22895"
                           xFract="0.50106043"
                           y3="2.11295"
                           yFract="0.25034953"
                           z3="4.17963"
                           zFract="0.18810216"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12085"
                           xFract="0.25128555"
                           y3="2.10909"
                           yFract="0.24989218"
                           z3="6.36429"
                           zFract="0.28642169"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35819"
                           xFract="0.75334005"
                           y3="4.20316"
                           yFract="0.49800474"
                           z3="4.24969"
                           zFract="0.19125518"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25436"
                           xFract="0.50407109"
                           y3="6.33739"
                           yFract="0.75087559"
                           z3="8.4668"
                           zFract="0.3810441"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26134"
                           xFract="0.5048981"
                           y3="4.17308"
                           yFract="0.49444076"
                           z3="6.38721"
                           zFract="0.2874532"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13671"
                           xFract="0.25316469"
                           y3="0.00937"
                           yFract="0.00111019"
                           z3="8.41156"
                           zFract="0.37855806"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34323"
                           xFract="0.75156754"
                           y3="0.02554"
                           yFract="0.00302607"
                           z3="8.49249"
                           zFract="0.38220027"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31281"
                           xFract="0.98493009"
                           y3="2.06198"
                           yFract="0.24431043"
                           z3="6.32583"
                           zFract="0.28469082"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15301"
                           xFract="0.25509597"
                           y3="8.41753"
                           yFract="0.99733768"
                           z3="6.28724"
                           zFract="0.2829541"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00244"
                           xFract="0.0002891"
                           y3="0.01431"
                           yFract="0.0016955"
                           z3="4.26036"
                           zFract="0.19173537"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42964"
                           xFract="0.99877251"
                           y3="0.04568"
                           yFract="0.00541232"
                           z3="8.38837"
                           zFract="0.3775144"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09709"
                           xFract="0.24847038"
                           y3="2.11029"
                           yFract="0.25003436"
                           z3="4.27624"
                           zFract="0.19245005"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98812"
                           xFract="0.23555924"
                           y3="2.08538"
                           yFract="0.24708294"
                           z3="8.45166"
                           zFract="0.38036274"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39127"
                           xFract="0.52029265"
                           y3="2.1037"
                           yFract="0.24925355"
                           z3="6.21607"
                           zFract="0.27975113"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33933"
                           xFract="0.75110545"
                           y3="8.34275"
                           yFract="0.98847749"
                           z3="6.3038"
                           zFract="0.28369937"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21406"
                           xFract="0.49929621"
                           y3="8.31633"
                           yFract="0.98534716"
                           z3="4.19919"
                           zFract="0.18898245"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26499"
                           xFract="0.50533057"
                           y3="-0.00338"
                           yFract="-0.00040047"
                           z3="8.45401"
                           zFract="0.3804685"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34033"
                           xFract="0.75122393"
                           y3="2.07735"
                           yFract="0.24613152"
                           z3="4.07156"
                           zFract="0.18323852"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.5195"
                           xFract="0.77245261"
                           y3="2.10089"
                           yFract="0.24892062"
                           z3="8.73007"
                           zFract="0.39289244"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4127"
                           xFract="0.9967654"
                           y3="6.42678"
                           yFract="0.76146682"
                           z3="6.37004"
                           zFract="0.28668047"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96112"
                           xFract="0.23236019"
                           y3="4.26282"
                           yFract="0.50507346"
                           z3="6.38405"
                           zFract="0.28731098"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02106"
                           xFract="0.00249526"
                           y3="4.19308"
                           yFract="0.49681043"
                           z3="4.11834"
                           zFract="0.18534383"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.16978"
                           xFract="0.02011611"
                           y3="4.18568"
                           yFract="0.49593365"
                           z3="9.16454"
                           zFract="0.41244554"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21182"
                           xFract="0.26206398"
                           y3="6.33078"
                           yFract="0.75009242"
                           z3="4.26357"
                           zFract="0.19187984"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0605"
                           xFract="0.24413507"
                           y3="6.34178"
                           yFract="0.75139573"
                           z3="8.45657"
                           zFract="0.38058371"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22987"
                           xFract="0.50116943"
                           y3="6.3477"
                           yFract="0.75209716"
                           z3="6.26164"
                           zFract="0.28180198"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42549"
                           xFract="0.76131398"
                           y3="4.33301"
                           yFract="0.51338981"
                           z3="6.31689"
                           zFract="0.28428848"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19378"
                           xFract="0.49689336"
                           y3="4.36815"
                           yFract="0.51755332"
                           z3="4.27632"
                           zFract="0.19245365"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13904"
                           xFract="0.49040758"
                           y3="4.2346"
                           yFract="0.50172986"
                           z3="8.4968"
                           zFract="0.38239424"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1890"
                           xFract="0.73329384"
                           y3="6.36303"
                           yFract="0.75391351"
                           z3="4.21644"
                           zFract="0.18975878"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39772"
                           xFract="0.7580237"
                           y3="6.27925"
                           yFract="0.74398697"
                           z3="8.4479"
                           zFract="0.38019352"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.00745"
                           xFract="-0.0008827"
                           y3="4.17458"
                           yFract="0.49461848"
                           z3="10.13058"
                           zFract="0.45592169"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0185"
                           xFract="-0.00219194"
                           y3="6.34019"
                           yFract="0.75120735"
                           z3="8.48827"
                           zFract="0.38201035"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33957"
                           xFract="0.75113389"
                           y3="0.0156"
                           yFract="0.00184834"
                           z3="4.23905"
                           zFract="0.19077633"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00145"
                           xFract="0.0001718"
                           y3="2.0758"
                           yFract="0.24594787"
                           z3="8.54865"
                           zFract="0.38472772"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34227"
                           xFract="0.75145379"
                           y3="6.33835"
                           yFract="0.75098934"
                           z3="6.35525"
                           zFract="0.28601485"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20727"
                           xFract="0.49849171"
                           y3="6.34193"
                           yFract="0.75141351"
                           z3="4.21661"
                           zFract="0.18976643"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43742"
                           xFract="0.99969431"
                           y3="0.02688"
                           yFract="0.00318483"
                           z3="6.36107"
                           zFract="0.28627678"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42094"
                           xFract="0.99774171"
                           y3="2.10974"
                           yFract="0.24996919"
                           z3="4.22552"
                           zFract="0.19016742"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11182"
                           xFract="0.25021564"
                           y3="4.19788"
                           yFract="0.49737915"
                           z3="8.45058"
                           zFract="0.38031413"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0924"
                           xFract="0.24791469"
                           y3="4.21167"
                           yFract="0.49901303"
                           z3="4.24442"
                           zFract="0.191018"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08133"
                           xFract="0.24660308"
                           y3="6.34502"
                           yFract="0.75177962"
                           z3="6.35496"
                           zFract="0.2860018"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09708"
                           xFract="0.24846919"
                           y3="0.00811"
                           yFract="0.0009609"
                           z3="4.21233"
                           zFract="0.18957381"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25954"
                           xFract="0.50468483"
                           y3="0.04289"
                           yFract="0.00508175"
                           z3="6.30656"
                           zFract="0.28382358"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35311"
                           xFract="0.75273815"
                           y3="2.12297"
                           yFract="0.25153673"
                           z3="6.42508"
                           zFract="0.28915752"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2376"
                           xFract="0.73905213"
                           y3="4.11474"
                           yFract="0.48752844"
                           z3="8.6202"
                           zFract="0.38794779"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24319"
                           xFract="0.50274763"
                           y3="2.11632"
                           yFract="0.25074882"
                           z3="8.58437"
                           zFract="0.38633528"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42284"
                           xFract="0.99796682"
                           y3="6.31544"
                           yFract="0.74827488"
                           z3="4.24419"
                           zFract="0.19100765"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40095"
                           xFract="0.99537322"
                           y3="4.23319"
                           yFract="0.5015628"
                           z3="6.36221"
                           zFract="0.28632808"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2288"
                           xFract="0.50104265"
                           y3="2.11292"
                           yFract="0.25034597"
                           z3="4.18035"
                           zFract="0.18813456"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.12004"
                           xFract="0.25118957"
                           y3="2.1089"
                           yFract="0.24986967"
                           z3="6.36491"
                           zFract="0.28644959"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35802"
                           xFract="0.75331991"
                           y3="4.20315"
                           yFract="0.49800355"
                           z3="4.24932"
                           zFract="0.19123852"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25368"
                           xFract="0.50399052"
                           y3="6.33573"
                           yFract="0.75067891"
                           z3="8.46741"
                           zFract="0.38107156"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2617"
                           xFract="0.50494076"
                           y3="4.17309"
                           yFract="0.49444194"
                           z3="6.38879"
                           zFract="0.2875243"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13606"
                           xFract="0.25308768"
                           y3="0.00943"
                           yFract="0.0011173"
                           z3="8.41288"
                           zFract="0.37861746"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34268"
                           xFract="0.75150237"
                           y3="0.02581"
                           yFract="0.00305806"
                           z3="8.49295"
                           zFract="0.38222097"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31228"
                           xFract="0.9848673"
                           y3="2.06085"
                           yFract="0.24417654"
                           z3="6.32539"
                           zFract="0.28467102"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15285"
                           xFract="0.25507701"
                           y3="8.41814"
                           yFract="0.99740995"
                           z3="6.28784"
                           zFract="0.2829811"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00164"
                           xFract="0.00019431"
                           y3="0.01369"
                           yFract="0.00162204"
                           z3="4.26059"
                           zFract="0.19174572"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42925"
                           xFract="0.9987263"
                           y3="0.04652"
                           yFract="0.00551185"
                           z3="8.3888"
                           zFract="0.37753375"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09821"
                           xFract="0.24860308"
                           y3="2.11134"
                           yFract="0.25015877"
                           z3="4.2772"
                           zFract="0.19249325"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98666"
                           xFract="0.23538626"
                           y3="2.08588"
                           yFract="0.24714218"
                           z3="8.45211"
                           zFract="0.38038299"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39107"
                           xFract="0.52026896"
                           y3="2.10495"
                           yFract="0.24940166"
                           z3="6.21684"
                           zFract="0.27978578"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33891"
                           xFract="0.75105569"
                           y3="8.34286"
                           yFract="0.98849052"
                           z3="6.30379"
                           zFract="0.28369892"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21447"
                           xFract="0.49934479"
                           y3="8.31654"
                           yFract="0.98537204"
                           z3="4.19841"
                           zFract="0.18894734"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26575"
                           xFract="0.50542062"
                           y3="-0.00253"
                           yFract="-0.00029976"
                           z3="8.45424"
                           zFract="0.38047885"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33907"
                           xFract="0.75107464"
                           y3="2.07702"
                           yFract="0.24609242"
                           z3="4.0715"
                           zFract="0.18323582"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.52005"
                           xFract="0.77251777"
                           y3="2.1030"
                           yFract="0.24917062"
                           z3="8.7320"
                           zFract="0.3929793"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41279"
                           xFract="0.99677607"
                           y3="6.42714"
                           yFract="0.76150948"
                           z3="6.37056"
                           zFract="0.28670387"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96095"
                           xFract="0.23234005"
                           y3="4.26234"
                           yFract="0.50501659"
                           z3="6.38619"
                           zFract="0.28740729"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02155"
                           xFract="0.00255332"
                           y3="4.19272"
                           yFract="0.49676777"
                           z3="4.11799"
                           zFract="0.18532808"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17115"
                           xFract="0.02027844"
                           y3="4.18494"
                           yFract="0.49584597"
                           z3="9.16161"
                           zFract="0.41231368"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21115"
                           xFract="0.2619846"
                           y3="6.33026"
                           yFract="0.75003081"
                           z3="4.26455"
                           zFract="0.19192394"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06076"
                           xFract="0.24416588"
                           y3="6.34303"
                           yFract="0.75154384"
                           z3="8.45665"
                           zFract="0.38058731"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23042"
                           xFract="0.5012346"
                           y3="6.34714"
                           yFract="0.75203081"
                           z3="6.26203"
                           zFract="0.28181953"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42588"
                           xFract="0.76136019"
                           y3="4.33231"
                           yFract="0.51330687"
                           z3="6.31714"
                           zFract="0.28429973"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19345"
                           xFract="0.49685427"
                           y3="4.36887"
                           yFract="0.51763863"
                           z3="4.27582"
                           zFract="0.19243114"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13834"
                           xFract="0.49032464"
                           y3="4.23376"
                           yFract="0.50163033"
                           z3="8.49655"
                           zFract="0.38238299"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18931"
                           xFract="0.73333057"
                           y3="6.36311"
                           yFract="0.75392299"
                           z3="4.21699"
                           zFract="0.18978353"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39845"
                           xFract="0.75811019"
                           y3="6.27961"
                           yFract="0.74402962"
                           z3="8.44859"
                           zFract="0.38022457"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.00659"
                           xFract="-0.00078081"
                           y3="4.17478"
                           yFract="0.49464218"
                           z3="10.13069"
                           zFract="0.45592664"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01796"
                           xFract="-0.00212796"
                           y3="6.34025"
                           yFract="0.75121445"
                           z3="8.48858"
                           zFract="0.3820243"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34024"
                           xFract="0.75121327"
                           y3="0.01573"
                           yFract="0.00186374"
                           z3="4.23934"
                           zFract="0.19078938"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00193"
                           xFract="0.00022867"
                           y3="2.07529"
                           yFract="0.24588744"
                           z3="8.54937"
                           zFract="0.38476013"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34225"
                           xFract="0.75145142"
                           y3="6.33821"
                           yFract="0.75097275"
                           z3="6.35527"
                           zFract="0.28601575"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20709"
                           xFract="0.49847038"
                           y3="6.34164"
                           yFract="0.75137915"
                           z3="4.21648"
                           zFract="0.18976058"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43717"
                           xFract="0.99966469"
                           y3="0.02688"
                           yFract="0.00318483"
                           z3="6.36011"
                           zFract="0.28623357"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42114"
                           xFract="0.9977654"
                           y3="2.10919"
                           yFract="0.24990403"
                           z3="4.2254"
                           zFract="0.19016202"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11206"
                           xFract="0.25024408"
                           y3="4.19752"
                           yFract="0.49733649"
                           z3="8.4504"
                           zFract="0.38030603"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09235"
                           xFract="0.24790877"
                           y3="4.21177"
                           yFract="0.49902488"
                           z3="4.24427"
                           zFract="0.19101125"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.08094"
                           xFract="0.24655687"
                           y3="6.34505"
                           yFract="0.75178318"
                           z3="6.35463"
                           zFract="0.28598695"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09649"
                           xFract="0.24839929"
                           y3="0.0082"
                           yFract="0.00097156"
                           z3="4.21226"
                           zFract="0.18957066"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25908"
                           xFract="0.50463033"
                           y3="0.04257"
                           yFract="0.00504384"
                           z3="6.30661"
                           zFract="0.28382583"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35328"
                           xFract="0.75275829"
                           y3="2.12286"
                           yFract="0.2515237"
                           z3="6.42521"
                           zFract="0.28916337"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2377"
                           xFract="0.73906398"
                           y3="4.11433"
                           yFract="0.48747986"
                           z3="8.62032"
                           zFract="0.3879532"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24357"
                           xFract="0.50279265"
                           y3="2.11639"
                           yFract="0.25075711"
                           z3="8.58451"
                           zFract="0.38634158"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42292"
                           xFract="0.9979763"
                           y3="6.31598"
                           yFract="0.74833886"
                           z3="4.24437"
                           zFract="0.19101575"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40134"
                           xFract="0.99541943"
                           y3="4.23319"
                           yFract="0.5015628"
                           z3="6.36218"
                           zFract="0.28632673"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22872"
                           xFract="0.50103318"
                           y3="2.11291"
                           yFract="0.25034479"
                           z3="4.18071"
                           zFract="0.18815077"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.11962"
                           xFract="0.25113981"
                           y3="2.10879"
                           yFract="0.24985664"
                           z3="6.36521"
                           zFract="0.2864631"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35795"
                           xFract="0.75331161"
                           y3="4.20313"
                           yFract="0.49800118"
                           z3="4.24914"
                           zFract="0.19123042"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25335"
                           xFract="0.50395142"
                           y3="6.33494"
                           yFract="0.75058531"
                           z3="8.46773"
                           zFract="0.38108596"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2619"
                           xFract="0.50496445"
                           y3="4.17311"
                           yFract="0.49444431"
                           z3="6.38951"
                           zFract="0.28755671"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13574"
                           xFract="0.25304976"
                           y3="0.00948"
                           yFract="0.00112322"
                           z3="8.41355"
                           zFract="0.37864761"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34242"
                           xFract="0.75147156"
                           y3="0.02597"
                           yFract="0.00307701"
                           z3="8.49318"
                           zFract="0.38223132"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.31203"
                           xFract="0.98483768"
                           y3="2.06032"
                           yFract="0.24411374"
                           z3="6.32509"
                           zFract="0.28465752"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15272"
                           xFract="0.25506161"
                           y3="8.41845"
                           yFract="0.99744668"
                           z3="6.28809"
                           zFract="0.28299235"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00128"
                           xFract="0.00015166"
                           y3="0.01341"
                           yFract="0.00158886"
                           z3="4.26065"
                           zFract="0.19174842"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42903"
                           xFract="0.99870024"
                           y3="0.04699"
                           yFract="0.00556754"
                           z3="8.38897"
                           zFract="0.3775414"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09877"
                           xFract="0.24866943"
                           y3="2.11181"
                           yFract="0.25021445"
                           z3="4.27769"
                           zFract="0.1925153"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98597"
                           xFract="0.2353045"
                           y3="2.08608"
                           yFract="0.24716588"
                           z3="8.45231"
                           zFract="0.38039199"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39098"
                           xFract="0.52025829"
                           y3="2.10556"
                           yFract="0.24947393"
                           z3="6.21724"
                           zFract="0.27980378"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33871"
                           xFract="0.75103199"
                           y3="8.34292"
                           yFract="0.98849763"
                           z3="6.30376"
                           zFract="0.28369757"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21463"
                           xFract="0.49936374"
                           y3="8.3166"
                           yFract="0.98537915"
                           z3="4.19806"
                           zFract="0.18893159"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26612"
                           xFract="0.50546445"
                           y3="-0.00209"
                           yFract="-0.00024763"
                           z3="8.45435"
                           zFract="0.3804838"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33843"
                           xFract="0.75099882"
                           y3="2.07686"
                           yFract="0.24607346"
                           z3="4.07148"
                           zFract="0.18323492"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.52042"
                           xFract="0.77256161"
                           y3="2.10406"
                           yFract="0.24929621"
                           z3="8.73288"
                           zFract="0.3930189"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41286"
                           xFract="0.99678436"
                           y3="6.42726"
                           yFract="0.7615237"
                           z3="6.37077"
                           zFract="0.28671332"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96089"
                           xFract="0.23233294"
                           y3="4.2621"
                           yFract="0.50498815"
                           z3="6.38717"
                           zFract="0.2874514"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02179"
                           xFract="0.00258175"
                           y3="4.19253"
                           yFract="0.49674526"
                           z3="4.11781"
                           zFract="0.18531998"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17133"
                           xFract="0.02029976"
                           y3="4.1845"
                           yFract="0.49579384"
                           z3="9.16229"
                           zFract="0.41234428"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21082"
                           xFract="0.2619455"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.26501"
                           zFract="0.19194464"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0609"
                           xFract="0.24418246"
                           y3="6.34365"
                           yFract="0.7516173"
                           z3="8.45669"
                           zFract="0.38058911"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23068"
                           xFract="0.5012654"
                           y3="6.34684"
                           yFract="0.75199526"
                           z3="6.26222"
                           zFract="0.28182808"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42613"
                           xFract="0.76138981"
                           y3="4.33195"
                           yFract="0.51326422"
                           z3="6.31722"
                           zFract="0.28430333"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19328"
                           xFract="0.49683412"
                           y3="4.36921"
                           yFract="0.51767891"
                           z3="4.27559"
                           zFract="0.19242079"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13803"
                           xFract="0.49028791"
                           y3="4.23334"
                           yFract="0.50158057"
                           z3="8.49647"
                           zFract="0.38237939"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18944"
                           xFract="0.73334597"
                           y3="6.36313"
                           yFract="0.75392536"
                           z3="4.21727"
                           zFract="0.18979613"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39883"
                           xFract="0.75815521"
                           y3="6.27979"
                           yFract="0.74405095"
                           z3="8.44894"
                           zFract="0.38024032"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="-0.00401"
                           xFract="-0.00047512"
                           y3="4.17538"
                           yFract="0.49471327"
                           z3="10.13101"
                           zFract="0.45594104"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01633"
                           xFract="-0.00193483"
                           y3="6.34043"
                           yFract="0.75123578"
                           z3="8.48951"
                           zFract="0.38206616"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34225"
                           xFract="0.75145142"
                           y3="0.01615"
                           yFract="0.00191351"
                           z3="4.24021"
                           zFract="0.19082853"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00337"
                           xFract="0.00039929"
                           y3="2.07376"
                           yFract="0.24570616"
                           z3="8.55154"
                           zFract="0.38485779"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34218"
                           xFract="0.75144313"
                           y3="6.33779"
                           yFract="0.75092299"
                           z3="6.35533"
                           zFract="0.28601845"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20655"
                           xFract="0.4984064"
                           y3="6.34078"
                           yFract="0.75127725"
                           z3="4.2161"
                           zFract="0.18974347"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43641"
                           xFract="0.99957464"
                           y3="0.02689"
                           yFract="0.00318602"
                           z3="6.35721"
                           zFract="0.28610306"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42172"
                           xFract="0.99783412"
                           y3="2.10756"
                           yFract="0.2497109"
                           z3="4.22506"
                           zFract="0.19014671"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11279"
                           xFract="0.25033057"
                           y3="4.19645"
                           yFract="0.49720972"
                           z3="8.44986"
                           zFract="0.38028173"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09219"
                           xFract="0.24788981"
                           y3="4.21209"
                           yFract="0.4990628"
                           z3="4.24382"
                           zFract="0.190991"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07977"
                           xFract="0.24641825"
                           y3="6.34515"
                           yFract="0.75179502"
                           z3="6.35363"
                           zFract="0.28594194"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0947"
                           xFract="0.2481872"
                           y3="0.00848"
                           yFract="0.00100474"
                           z3="4.21204"
                           zFract="0.18956076"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25772"
                           xFract="0.50446919"
                           y3="0.04163"
                           yFract="0.00493246"
                           z3="6.30679"
                           zFract="0.28383393"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35378"
                           xFract="0.75281754"
                           y3="2.12252"
                           yFract="0.25148341"
                           z3="6.42558"
                           zFract="0.28918002"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.23799"
                           xFract="0.73909834"
                           y3="4.11312"
                           yFract="0.48733649"
                           z3="8.6207"
                           zFract="0.3879703"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24472"
                           xFract="0.50292891"
                           y3="2.11661"
                           yFract="0.25078318"
                           z3="8.58494"
                           zFract="0.38636094"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42315"
                           xFract="0.99800355"
                           y3="6.31761"
                           yFract="0.74853199"
                           z3="4.24491"
                           zFract="0.19104005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4025"
                           xFract="0.99555687"
                           y3="4.23322"
                           yFract="0.50156635"
                           z3="6.36209"
                           zFract="0.28632268"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2285"
                           xFract="0.50100711"
                           y3="2.11288"
                           yFract="0.25034123"
                           z3="4.18181"
                           zFract="0.18820027"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.11838"
                           xFract="0.25099289"
                           y3="2.10848"
                           yFract="0.24981991"
                           z3="6.36611"
                           zFract="0.2865036"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35775"
                           xFract="0.75328791"
                           y3="4.20309"
                           yFract="0.49799645"
                           z3="4.24861"
                           zFract="0.19120657"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25235"
                           xFract="0.50383294"
                           y3="6.33258"
                           yFract="0.75030569"
                           z3="8.46867"
                           zFract="0.38112826"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26253"
                           xFract="0.5050391"
                           y3="4.17316"
                           yFract="0.49445024"
                           z3="6.39168"
                           zFract="0.28765437"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13481"
                           xFract="0.25293957"
                           y3="0.00965"
                           yFract="0.00114336"
                           z3="8.41556"
                           zFract="0.37873807"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34163"
                           xFract="0.75137796"
                           y3="0.02644"
                           yFract="0.0031327"
                           z3="8.49387"
                           zFract="0.38226238"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.3113"
                           xFract="0.98475118"
                           y3="2.05873"
                           yFract="0.24392536"
                           z3="6.32421"
                           zFract="0.28461791"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15233"
                           xFract="0.2550154"
                           y3="8.41936"
                           yFract="0.9975545"
                           z3="6.28886"
                           zFract="0.283027"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00021"
                           xFract="0.00002488"
                           y3="0.01257"
                           yFract="0.00148934"
                           z3="4.26083"
                           zFract="0.19175653"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42836"
                           xFract="0.99862085"
                           y3="0.04841"
                           yFract="0.00573578"
                           z3="8.38949"
                           zFract="0.37756481"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10042"
                           xFract="0.24886493"
                           y3="2.11323"
                           yFract="0.2503827"
                           z3="4.27917"
                           zFract="0.19258191"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9839"
                           xFract="0.23505924"
                           y3="2.08665"
                           yFract="0.24723341"
                           z3="8.4529"
                           zFract="0.38041854"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39071"
                           xFract="0.5202263"
                           y3="2.1074"
                           yFract="0.24969194"
                           z3="6.21845"
                           zFract="0.27985824"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33812"
                           xFract="0.75096209"
                           y3="8.3431"
                           yFract="0.98851896"
                           z3="6.30369"
                           zFract="0.28369442"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21513"
                           xFract="0.49942299"
                           y3="8.31676"
                           yFract="0.9853981"
                           z3="4.1970"
                           zFract="0.18888389"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26725"
                           xFract="0.50559834"
                           y3="-0.00079"
                           yFract="-0.0000936"
                           z3="8.45468"
                           zFract="0.38049865"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3365"
                           xFract="0.75077014"
                           y3="2.07639"
                           yFract="0.24601777"
                           z3="4.07143"
                           zFract="0.18323267"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.52153"
                           xFract="0.77269313"
                           y3="2.10723"
                           yFract="0.2496718"
                           z3="8.73552"
                           zFract="0.39313771"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41307"
                           xFract="0.99680924"
                           y3="6.42762"
                           yFract="0.76156635"
                           z3="6.37139"
                           zFract="0.28674122"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9607"
                           xFract="0.23231043"
                           y3="4.26137"
                           yFract="0.50490166"
                           z3="6.39013"
                           zFract="0.28758461"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02253"
                           xFract="0.00266943"
                           y3="4.19195"
                           yFract="0.49667654"
                           z3="4.11729"
                           zFract="0.18529658"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17186"
                           xFract="0.02036256"
                           y3="4.1832"
                           yFract="0.49563981"
                           z3="9.16432"
                           zFract="0.41243564"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20985"
                           xFract="0.26183057"
                           y3="6.32924"
                           yFract="0.74990995"
                           z3="4.26637"
                           zFract="0.19200585"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06135"
                           xFract="0.24423578"
                           y3="6.34552"
                           yFract="0.75183886"
                           z3="8.45682"
                           zFract="0.38059496"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23146"
                           xFract="0.50135782"
                           y3="6.34595"
                           yFract="0.75188981"
                           z3="6.26279"
                           zFract="0.28185374"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42688"
                           xFract="0.76147867"
                           y3="4.33088"
                           yFract="0.51313744"
                           z3="6.31746"
                           zFract="0.28431413"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1928"
                           xFract="0.49677725"
                           y3="4.37023"
                           yFract="0.51779976"
                           z3="4.27493"
                           zFract="0.19239109"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13713"
                           xFract="0.49018128"
                           y3="4.23207"
                           yFract="0.50143009"
                           z3="8.49621"
                           zFract="0.38236769"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18985"
                           xFract="0.73339455"
                           y3="6.3632"
                           yFract="0.75393365"
                           z3="4.21809"
                           zFract="0.18983303"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39995"
                           xFract="0.75828791"
                           y3="6.28034"
                           yFract="0.74411611"
                           z3="8.44998"
                           zFract="0.38028713"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.00114"
                           xFract="0.00013507"
                           y3="4.17659"
                           yFract="0.49485664"
                           z3="10.13166"
                           zFract="0.4559703"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01306"
                           xFract="-0.00154739"
                           y3="6.34079"
                           yFract="0.75127844"
                           z3="8.49135"
                           zFract="0.38214896"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34628"
                           xFract="0.75192891"
                           y3="0.01698"
                           yFract="0.00201185"
                           z3="4.24195"
                           zFract="0.19090684"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00623"
                           xFract="0.00073815"
                           y3="2.07069"
                           yFract="0.24534242"
                           z3="8.55589"
                           zFract="0.38505356"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34206"
                           xFract="0.75142891"
                           y3="6.33695"
                           yFract="0.75082346"
                           z3="6.35545"
                           zFract="0.28602385"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20548"
                           xFract="0.49827962"
                           y3="6.33905"
                           yFract="0.75107227"
                           z3="4.21534"
                           zFract="0.18970927"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4349"
                           xFract="0.99939573"
                           y3="0.02691"
                           yFract="0.00318839"
                           z3="6.35143"
                           zFract="0.28584293"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42288"
                           xFract="0.99797156"
                           y3="2.10429"
                           yFract="0.24932346"
                           z3="4.22438"
                           zFract="0.19011611"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11426"
                           xFract="0.25050474"
                           y3="4.19432"
                           yFract="0.49695735"
                           z3="8.44878"
                           zFract="0.38023312"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09188"
                           xFract="0.24785308"
                           y3="4.21272"
                           yFract="0.49913744"
                           z3="4.24292"
                           zFract="0.1909505"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07743"
                           xFract="0.246141"
                           y3="6.34536"
                           yFract="0.75181991"
                           z3="6.35165"
                           zFract="0.28585284"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09112"
                           xFract="0.24776303"
                           y3="0.00904"
                           yFract="0.00107109"
                           z3="4.21162"
                           zFract="0.18954185"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25499"
                           xFract="0.50414573"
                           y3="0.03974"
                           yFract="0.00470853"
                           z3="6.30714"
                           zFract="0.28384968"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35478"
                           xFract="0.75293602"
                           y3="2.12183"
                           yFract="0.25140166"
                           z3="6.42632"
                           zFract="0.28921332"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.23858"
                           xFract="0.73916825"
                           y3="4.11069"
                           yFract="0.48704858"
                           z3="8.62145"
                           zFract="0.38800405"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24701"
                           xFract="0.50320024"
                           y3="2.11705"
                           yFract="0.25083531"
                           z3="8.5858"
                           zFract="0.38639964"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4236"
                           xFract="0.99805687"
                           y3="6.32086"
                           yFract="0.74891706"
                           z3="4.24599"
                           zFract="0.19108866"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40482"
                           xFract="0.99583175"
                           y3="4.23326"
                           yFract="0.50157109"
                           z3="6.3619"
                           zFract="0.28631413"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22805"
                           xFract="0.50095379"
                           y3="2.11281"
                           yFract="0.25033294"
                           z3="4.18401"
                           zFract="0.18829928"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1159"
                           xFract="0.25069905"
                           y3="2.10784"
                           yFract="0.24974408"
                           z3="6.36792"
                           zFract="0.28658506"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35735"
                           xFract="0.75324052"
                           y3="4.20301"
                           yFract="0.49798697"
                           z3="4.24754"
                           zFract="0.19115842"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25035"
                           xFract="0.50359597"
                           y3="6.32786"
                           yFract="0.74974645"
                           z3="8.47054"
                           zFract="0.38121242"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26378"
                           xFract="0.5051872"
                           y3="4.17326"
                           yFract="0.49446209"
                           z3="6.39603"
                           zFract="0.28785014"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13294"
                           xFract="0.25271801"
                           y3="0.00997"
                           yFract="0.00118128"
                           z3="8.41958"
                           zFract="0.37891899"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34004"
                           xFract="0.75118957"
                           y3="0.02739"
                           yFract="0.00324526"
                           z3="8.49525"
                           zFract="0.38232448"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30983"
                           xFract="0.98457701"
                           y3="2.05556"
                           yFract="0.24354976"
                           z3="6.32245"
                           zFract="0.2845387"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15155"
                           xFract="0.25492299"
                           y3="8.42118"
                           yFract="0.99777014"
                           z3="6.29038"
                           zFract="0.28309541"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00193"
                           xFract="-0.00022867"
                           y3="0.0109"
                           yFract="0.00129147"
                           z3="4.26118"
                           zFract="0.19177228"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42702"
                           xFract="0.99846209"
                           y3="0.05123"
                           yFract="0.00606991"
                           z3="8.39053"
                           zFract="0.37761161"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10373"
                           xFract="0.24925711"
                           y3="2.11607"
                           yFract="0.25071919"
                           z3="4.28213"
                           zFract="0.19271512"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97975"
                           xFract="0.23456754"
                           y3="2.0878"
                           yFract="0.24736967"
                           z3="8.45409"
                           zFract="0.3804721"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39019"
                           xFract="0.52016469"
                           y3="2.11107"
                           yFract="0.25012678"
                           z3="6.22087"
                           zFract="0.27996715"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33695"
                           xFract="0.75082346"
                           y3="8.34345"
                           yFract="0.98856043"
                           z3="6.30354"
                           zFract="0.28368767"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21613"
                           xFract="0.49954147"
                           y3="8.31708"
                           yFract="0.98543602"
                           z3="4.19487"
                           zFract="0.18878803"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26951"
                           xFract="0.50586611"
                           y3="0.00181"
                           yFract="0.00021445"
                           z3="8.45534"
                           zFract="0.38052835"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33266"
                           xFract="0.75031517"
                           y3="2.07544"
                           yFract="0.24590521"
                           z3="4.07134"
                           zFract="0.18322862"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.52375"
                           xFract="0.77295616"
                           y3="2.11357"
                           yFract="0.25042299"
                           z3="8.74081"
                           zFract="0.39337579"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41349"
                           xFract="0.996859"
                           y3="6.42834"
                           yFract="0.76165166"
                           z3="6.37264"
                           zFract="0.28679748"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96033"
                           xFract="0.23226659"
                           y3="4.2599"
                           yFract="0.50472749"
                           z3="6.39604"
                           zFract="0.28785059"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02399"
                           xFract="0.00284242"
                           y3="4.19079"
                           yFract="0.4965391"
                           z3="4.11625"
                           zFract="0.18524977"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17292"
                           xFract="0.02048815"
                           y3="4.1806"
                           yFract="0.49533175"
                           z3="9.16839"
                           zFract="0.41261881"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2079"
                           xFract="0.26159953"
                           y3="6.3277"
                           yFract="0.74972749"
                           z3="4.26911"
                           zFract="0.19212916"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06224"
                           xFract="0.24434123"
                           y3="6.34926"
                           yFract="0.75228199"
                           z3="8.45707"
                           zFract="0.38060621"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23302"
                           xFract="0.50154265"
                           y3="6.34416"
                           yFract="0.75167773"
                           z3="6.26393"
                           zFract="0.28190504"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42837"
                           xFract="0.76165521"
                           y3="4.32872"
                           yFract="0.51288152"
                           z3="6.31795"
                           zFract="0.28433618"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19182"
                           xFract="0.49666114"
                           y3="4.37227"
                           yFract="0.51804147"
                           z3="4.27359"
                           zFract="0.19233078"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13532"
                           xFract="0.48996682"
                           y3="4.22953"
                           yFract="0.50112915"
                           z3="8.4957"
                           zFract="0.38234473"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19066"
                           xFract="0.73349052"
                           y3="6.36334"
                           yFract="0.75395024"
                           z3="4.21973"
                           zFract="0.18990684"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4022"
                           xFract="0.7585545"
                           y3="6.28144"
                           yFract="0.74424645"
                           z3="8.45206"
                           zFract="0.38038074"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.00228"
                           xFract="0.00027014"
                           y3="4.17673"
                           yFract="0.49487322"
                           z3="10.13089"
                           zFract="0.45593564"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01288"
                           xFract="-0.00152607"
                           y3="6.34107"
                           yFract="0.75131161"
                           z3="8.49136"
                           zFract="0.38214941"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34584"
                           xFract="0.75187678"
                           y3="0.01685"
                           yFract="0.00199645"
                           z3="4.24185"
                           zFract="0.19090234"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00585"
                           xFract="0.00069313"
                           y3="2.07107"
                           yFract="0.24538744"
                           z3="8.55757"
                           zFract="0.38512916"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34222"
                           xFract="0.75144787"
                           y3="6.33681"
                           yFract="0.75080687"
                           z3="6.35583"
                           zFract="0.28604095"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20581"
                           xFract="0.49831872"
                           y3="6.33975"
                           yFract="0.75115521"
                           z3="4.21547"
                           zFract="0.18971512"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43465"
                           xFract="0.99936611"
                           y3="0.02676"
                           yFract="0.00317062"
                           z3="6.35242"
                           zFract="0.28588749"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42275"
                           xFract="0.99795616"
                           y3="2.10461"
                           yFract="0.24936137"
                           z3="4.22433"
                           zFract="0.19011386"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11374"
                           xFract="0.25044313"
                           y3="4.19402"
                           yFract="0.4969218"
                           z3="8.44902"
                           zFract="0.38024392"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09185"
                           xFract="0.24784953"
                           y3="4.21271"
                           yFract="0.49913626"
                           z3="4.24301"
                           zFract="0.19095455"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07726"
                           xFract="0.24612085"
                           y3="6.34542"
                           yFract="0.75182701"
                           z3="6.35189"
                           zFract="0.28586364"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09141"
                           xFract="0.24779739"
                           y3="0.00908"
                           yFract="0.00107583"
                           z3="4.21155"
                           zFract="0.1895387"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25477"
                           xFract="0.50411967"
                           y3="0.03975"
                           yFract="0.00470972"
                           z3="6.30718"
                           zFract="0.28385149"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35453"
                           xFract="0.7529064"
                           y3="2.12176"
                           yFract="0.25139336"
                           z3="6.4265"
                           zFract="0.28922142"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.23891"
                           xFract="0.73920735"
                           y3="4.11077"
                           yFract="0.48705806"
                           z3="8.62158"
                           zFract="0.3880099"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24749"
                           xFract="0.50325711"
                           y3="2.11698"
                           yFract="0.25082701"
                           z3="8.58595"
                           zFract="0.38640639"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42352"
                           xFract="0.99804739"
                           y3="6.32058"
                           yFract="0.74888389"
                           z3="4.24597"
                           zFract="0.19108776"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40473"
                           xFract="0.99582109"
                           y3="4.23309"
                           yFract="0.50155095"
                           z3="6.36178"
                           zFract="0.28630873"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22803"
                           xFract="0.50095142"
                           y3="2.11284"
                           yFract="0.25033649"
                           z3="4.18434"
                           zFract="0.18831413"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.11544"
                           xFract="0.25064455"
                           y3="2.10783"
                           yFract="0.24974289"
                           z3="6.36842"
                           zFract="0.28660756"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35753"
                           xFract="0.75326185"
                           y3="4.20299"
                           yFract="0.4979846"
                           z3="4.24759"
                           zFract="0.19116067"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25029"
                           xFract="0.50358886"
                           y3="6.3277"
                           yFract="0.74972749"
                           z3="8.47084"
                           zFract="0.38122592"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26411"
                           xFract="0.5052263"
                           y3="4.17343"
                           yFract="0.49448223"
                           z3="6.39603"
                           zFract="0.28785014"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13286"
                           xFract="0.25270853"
                           y3="0.01026"
                           yFract="0.00121564"
                           z3="8.42012"
                           zFract="0.37894329"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33998"
                           xFract="0.75118246"
                           y3="0.02772"
                           yFract="0.00328436"
                           z3="8.49548"
                           zFract="0.38233483"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30971"
                           xFract="0.9845628"
                           y3="2.05505"
                           yFract="0.24348934"
                           z3="6.32118"
                           zFract="0.28448155"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15125"
                           xFract="0.25488744"
                           y3="8.42133"
                           yFract="0.99778791"
                           z3="6.29021"
                           zFract="0.28308776"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00167"
                           xFract="-0.00019787"
                           y3="0.01112"
                           yFract="0.00131754"
                           z3="4.26084"
                           zFract="0.19175698"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42651"
                           xFract="0.99840166"
                           y3="0.05173"
                           yFract="0.00612915"
                           z3="8.39017"
                           zFract="0.37759541"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10405"
                           xFract="0.24929502"
                           y3="2.11591"
                           yFract="0.25070024"
                           z3="4.28254"
                           zFract="0.19273357"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97922"
                           xFract="0.23450474"
                           y3="2.0872"
                           yFract="0.24729858"
                           z3="8.45424"
                           zFract="0.38047885"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39029"
                           xFract="0.52017654"
                           y3="2.11117"
                           yFract="0.25013863"
                           z3="6.22141"
                           zFract="0.27999145"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33674"
                           xFract="0.75079858"
                           y3="8.34355"
                           yFract="0.98857227"
                           z3="6.30351"
                           zFract="0.28368632"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21592"
                           xFract="0.49951659"
                           y3="8.31662"
                           yFract="0.98538152"
                           z3="4.19506"
                           zFract="0.18879658"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26966"
                           xFract="0.50588389"
                           y3="0.00203"
                           yFract="0.00024052"
                           z3="8.45541"
                           zFract="0.3805315"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33216"
                           xFract="0.75025592"
                           y3="2.07546"
                           yFract="0.24590758"
                           z3="4.07127"
                           zFract="0.18322547"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.52499"
                           xFract="0.77310308"
                           y3="2.1138"
                           yFract="0.25045024"
                           z3="8.74165"
                           zFract="0.39341359"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41358"
                           xFract="0.99686967"
                           y3="6.42846"
                           yFract="0.76166588"
                           z3="6.37281"
                           zFract="0.28680513"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96035"
                           xFract="0.23226896"
                           y3="4.25988"
                           yFract="0.50472512"
                           z3="6.3963"
                           zFract="0.28786229"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02399"
                           xFract="0.00284242"
                           y3="4.1905"
                           yFract="0.49650474"
                           z3="4.11633"
                           zFract="0.18525338"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17323"
                           xFract="0.02052488"
                           y3="4.18009"
                           yFract="0.49527133"
                           z3="9.16972"
                           zFract="0.41267867"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20755"
                           xFract="0.26155806"
                           y3="6.32776"
                           yFract="0.7497346"
                           z3="4.26921"
                           zFract="0.19213366"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06267"
                           xFract="0.24439218"
                           y3="6.34968"
                           yFract="0.75233175"
                           z3="8.45724"
                           zFract="0.38061386"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2329"
                           xFract="0.50152844"
                           y3="6.34382"
                           yFract="0.75163744"
                           z3="6.26408"
                           zFract="0.28191179"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42888"
                           xFract="0.76171564"
                           y3="4.32835"
                           yFract="0.51283768"
                           z3="6.31782"
                           zFract="0.28433033"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19178"
                           xFract="0.4966564"
                           y3="4.37238"
                           yFract="0.5180545"
                           z3="4.27369"
                           zFract="0.19233528"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13535"
                           xFract="0.48997038"
                           y3="4.22911"
                           yFract="0.50107938"
                           z3="8.49617"
                           zFract="0.38236589"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19076"
                           xFract="0.73350237"
                           y3="6.36324"
                           yFract="0.75393839"
                           z3="4.21986"
                           zFract="0.18991269"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40238"
                           xFract="0.75857583"
                           y3="6.28126"
                           yFract="0.74422512"
                           z3="8.45235"
                           zFract="0.38039379"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.0057"
                           xFract="0.00067536"
                           y3="4.17713"
                           yFract="0.49492062"
                           z3="10.1286"
                           zFract="0.45583258"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01232"
                           xFract="-0.00145972"
                           y3="6.34192"
                           yFract="0.75141232"
                           z3="8.4914"
                           zFract="0.38215122"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34452"
                           xFract="0.75172038"
                           y3="0.01646"
                           yFract="0.00195024"
                           z3="4.24152"
                           zFract="0.19088749"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0047"
                           xFract="0.00055687"
                           y3="2.07223"
                           yFract="0.24552488"
                           z3="8.56263"
                           zFract="0.38535689"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3427"
                           xFract="0.75150474"
                           y3="6.3364"
                           yFract="0.75075829"
                           z3="6.35697"
                           zFract="0.28609226"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20681"
                           xFract="0.4984372"
                           y3="6.34186"
                           yFract="0.75140521"
                           z3="4.21587"
                           zFract="0.18973312"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43389"
                           xFract="0.99927607"
                           y3="0.0263"
                           yFract="0.00311611"
                           z3="6.35539"
                           zFract="0.28602115"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42236"
                           xFract="0.99790995"
                           y3="2.10558"
                           yFract="0.2494763"
                           z3="4.22418"
                           zFract="0.19010711"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11218"
                           xFract="0.25025829"
                           y3="4.1931"
                           yFract="0.4968128"
                           z3="8.44973"
                           zFract="0.38027588"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09174"
                           xFract="0.24783649"
                           y3="4.21271"
                           yFract="0.49913626"
                           z3="4.24327"
                           zFract="0.19096625"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07677"
                           xFract="0.2460628"
                           y3="6.3456"
                           yFract="0.75184834"
                           z3="6.3526"
                           zFract="0.28589559"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09229"
                           xFract="0.24790166"
                           y3="0.0092"
                           yFract="0.00109005"
                           z3="4.21134"
                           zFract="0.18952925"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2541"
                           xFract="0.50404028"
                           y3="0.03978"
                           yFract="0.00471327"
                           z3="6.30729"
                           zFract="0.28385644"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35378"
                           xFract="0.75281754"
                           y3="2.12157"
                           yFract="0.25137085"
                           z3="6.42703"
                           zFract="0.28924527"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2399"
                           xFract="0.73932464"
                           y3="4.1110"
                           yFract="0.48708531"
                           z3="8.62199"
                           zFract="0.38802835"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24894"
                           xFract="0.50342891"
                           y3="2.11679"
                           yFract="0.2508045"
                           z3="8.58641"
                           zFract="0.38642709"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42326"
                           xFract="0.99801659"
                           y3="6.31977"
                           yFract="0.74878791"
                           z3="4.24589"
                           zFract="0.19108416"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40445"
                           xFract="0.99578791"
                           y3="4.23257"
                           yFract="0.50148934"
                           z3="6.3614"
                           zFract="0.28629163"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22795"
                           xFract="0.50094194"
                           y3="2.11292"
                           yFract="0.25034597"
                           z3="4.18532"
                           zFract="0.18835824"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.11405"
                           xFract="0.25047986"
                           y3="2.10779"
                           yFract="0.24973815"
                           z3="6.36993"
                           zFract="0.28667552"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35805"
                           xFract="0.75332346"
                           y3="4.20293"
                           yFract="0.49797749"
                           z3="4.24776"
                           zFract="0.19116832"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25012"
                           xFract="0.50356872"
                           y3="6.32724"
                           yFract="0.74967299"
                           z3="8.47175"
                           zFract="0.38126688"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26511"
                           xFract="0.50534479"
                           y3="4.17395"
                           yFract="0.49454384"
                           z3="6.39604"
                           zFract="0.28785059"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13262"
                           xFract="0.25268009"
                           y3="0.01114"
                           yFract="0.00131991"
                           z3="8.42173"
                           zFract="0.37901575"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3398"
                           xFract="0.75116114"
                           y3="0.02873"
                           yFract="0.00340403"
                           z3="8.49617"
                           zFract="0.38236589"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30935"
                           xFract="0.98452014"
                           y3="2.05351"
                           yFract="0.24330687"
                           z3="6.31736"
                           zFract="0.28430963"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15034"
                           xFract="0.25477962"
                           y3="8.42179"
                           yFract="0.99784242"
                           z3="6.28972"
                           zFract="0.28306571"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00089"
                           xFract="-0.00010545"
                           y3="0.01178"
                           yFract="0.00139573"
                           z3="4.25983"
                           zFract="0.19171152"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42496"
                           xFract="0.99821801"
                           y3="0.05321"
                           yFract="0.0063045"
                           z3="8.38909"
                           zFract="0.3775468"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10499"
                           xFract="0.2494064"
                           y3="2.11542"
                           yFract="0.25064218"
                           z3="4.28375"
                           zFract="0.19278803"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97763"
                           xFract="0.23431635"
                           y3="2.08542"
                           yFract="0.24708768"
                           z3="8.45468"
                           zFract="0.38049865"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39062"
                           xFract="0.52021564"
                           y3="2.11147"
                           yFract="0.25017417"
                           z3="6.22302"
                           zFract="0.28006391"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33613"
                           xFract="0.7507263"
                           y3="8.34386"
                           yFract="0.988609"
                           z3="6.30343"
                           zFract="0.28368272"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2153"
                           xFract="0.49944313"
                           y3="8.31524"
                           yFract="0.98521801"
                           z3="4.19563"
                           zFract="0.18882223"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27008"
                           xFract="0.50593365"
                           y3="0.0027"
                           yFract="0.00031991"
                           z3="8.4556"
                           zFract="0.38054005"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33067"
                           xFract="0.75007938"
                           y3="2.07552"
                           yFract="0.24591469"
                           z3="4.07109"
                           zFract="0.18321737"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.52872"
                           xFract="0.77354502"
                           y3="2.11448"
                           yFract="0.25053081"
                           z3="8.74418"
                           zFract="0.39352745"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41386"
                           xFract="0.99690284"
                           y3="6.42882"
                           yFract="0.76170853"
                           z3="6.37331"
                           zFract="0.28682763"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96039"
                           xFract="0.2322737"
                           y3="4.25981"
                           yFract="0.50471682"
                           z3="6.39708"
                           zFract="0.28789739"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02399"
                           xFract="0.00284242"
                           y3="4.18963"
                           yFract="0.49640166"
                           z3="4.1166"
                           zFract="0.18526553"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17413"
                           xFract="0.02063152"
                           y3="4.17854"
                           yFract="0.49508768"
                           z3="9.17371"
                           zFract="0.41285824"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20653"
                           xFract="0.2614372"
                           y3="6.32794"
                           yFract="0.74975592"
                           z3="4.26951"
                           zFract="0.19214716"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06395"
                           xFract="0.24454384"
                           y3="6.35094"
                           yFract="0.75248104"
                           z3="8.45776"
                           zFract="0.38063726"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23256"
                           xFract="0.50148815"
                           y3="6.34279"
                           yFract="0.7515154"
                           z3="6.26454"
                           zFract="0.28193249"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4304"
                           xFract="0.76189573"
                           y3="4.32723"
                           yFract="0.51270498"
                           z3="6.31743"
                           zFract="0.28431278"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19166"
                           xFract="0.49664218"
                           y3="4.37269"
                           yFract="0.51809123"
                           z3="4.27398"
                           zFract="0.19234833"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13547"
                           xFract="0.4899846"
                           y3="4.22786"
                           yFract="0.50093128"
                           z3="8.49758"
                           zFract="0.38242934"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19106"
                           xFract="0.73353791"
                           y3="6.36293"
                           yFract="0.75390166"
                           z3="4.22023"
                           zFract="0.18992934"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40289"
                           xFract="0.75863626"
                           y3="6.2807"
                           yFract="0.74415877"
                           z3="8.4532"
                           zFract="0.38043204"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.00624"
                           xFract="0.00073934"
                           y3="4.17721"
                           yFract="0.49493009"
                           z3="10.12921"
                           zFract="0.45586004"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01224"
                           xFract="-0.00145024"
                           y3="6.34211"
                           yFract="0.75143483"
                           z3="8.49138"
                           zFract="0.38215032"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34422"
                           xFract="0.75168483"
                           y3="0.01637"
                           yFract="0.00193957"
                           z3="4.24146"
                           zFract="0.19088479"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00449"
                           xFract="0.00053199"
                           y3="2.0725"
                           yFract="0.24555687"
                           z3="8.56378"
                           zFract="0.38540864"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34281"
                           xFract="0.75151777"
                           y3="6.33632"
                           yFract="0.75074882"
                           z3="6.35722"
                           zFract="0.28610351"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20696"
                           xFract="0.49845498"
                           y3="6.34219"
                           yFract="0.75144431"
                           z3="4.21598"
                           zFract="0.18973807"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43373"
                           xFract="0.99925711"
                           y3="0.02624"
                           yFract="0.003109"
                           z3="6.3560"
                           zFract="0.2860486"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42226"
                           xFract="0.9978981"
                           y3="2.10579"
                           yFract="0.24950118"
                           z3="4.22416"
                           zFract="0.19010621"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11185"
                           xFract="0.25021919"
                           y3="4.19291"
                           yFract="0.49679028"
                           z3="8.4499"
                           zFract="0.38028353"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09174"
                           xFract="0.24783649"
                           y3="4.2127"
                           yFract="0.49913507"
                           z3="4.24335"
                           zFract="0.19096985"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07669"
                           xFract="0.24605332"
                           y3="6.34564"
                           yFract="0.75185308"
                           z3="6.35279"
                           zFract="0.28590414"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09248"
                           xFract="0.24792417"
                           y3="0.00922"
                           yFract="0.00109242"
                           z3="4.21131"
                           zFract="0.1895279"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25398"
                           xFract="0.50402607"
                           y3="0.0398"
                           yFract="0.00471564"
                           z3="6.30734"
                           zFract="0.28385869"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35366"
                           xFract="0.75280332"
                           y3="2.12152"
                           yFract="0.25136493"
                           z3="6.42714"
                           zFract="0.28925023"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.24013"
                           xFract="0.7393519"
                           y3="4.11109"
                           yFract="0.48709597"
                           z3="8.62207"
                           zFract="0.38803195"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24924"
                           xFract="0.50346445"
                           y3="2.11675"
                           yFract="0.25079976"
                           z3="8.5865"
                           zFract="0.38643114"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42321"
                           xFract="0.99801066"
                           y3="6.31956"
                           yFract="0.74876303"
                           z3="4.24587"
                           zFract="0.19108326"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40441"
                           xFract="0.99578318"
                           y3="4.23242"
                           yFract="0.50147156"
                           z3="6.36133"
                           zFract="0.28628848"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22793"
                           xFract="0.50093957"
                           y3="2.11296"
                           yFract="0.25035071"
                           z3="4.18552"
                           zFract="0.18836724"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.11373"
                           xFract="0.25044194"
                           y3="2.10778"
                           yFract="0.24973697"
                           z3="6.37026"
                           zFract="0.28669037"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35816"
                           xFract="0.75333649"
                           y3="4.20292"
                           yFract="0.4979763"
                           z3="4.2478"
                           zFract="0.19117012"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25011"
                           xFract="0.50356754"
                           y3="6.32719"
                           yFract="0.74966706"
                           z3="8.47193"
                           zFract="0.38127498"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26531"
                           xFract="0.50536848"
                           y3="4.17407"
                           yFract="0.49455806"
                           z3="6.3960"
                           zFract="0.28784878"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1326"
                           xFract="0.25267773"
                           y3="0.01133"
                           yFract="0.00134242"
                           z3="8.42203"
                           zFract="0.37902925"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33975"
                           xFract="0.75115521"
                           y3="0.02893"
                           yFract="0.00342773"
                           z3="8.4963"
                           zFract="0.38237174"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30925"
                           xFract="0.98450829"
                           y3="2.05318"
                           yFract="0.24326777"
                           z3="6.3165"
                           zFract="0.28427093"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15016"
                           xFract="0.25475829"
                           y3="8.42187"
                           yFract="0.9978519"
                           z3="6.28963"
                           zFract="0.28306166"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00072"
                           xFract="-0.00008531"
                           y3="0.01195"
                           yFract="0.00141588"
                           z3="4.2596"
                           zFract="0.19170117"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42461"
                           xFract="0.99817654"
                           y3="0.05357"
                           yFract="0.00634716"
                           z3="8.38887"
                           zFract="0.3775369"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1052"
                           xFract="0.24943128"
                           y3="2.11529"
                           yFract="0.25062678"
                           z3="4.28399"
                           zFract="0.19279883"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97724"
                           xFract="0.23427014"
                           y3="2.08502"
                           yFract="0.24704028"
                           z3="8.45478"
                           zFract="0.38050315"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39069"
                           xFract="0.52022393"
                           y3="2.11148"
                           yFract="0.25017536"
                           z3="6.22338"
                           zFract="0.28008011"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3360"
                           xFract="0.7507109"
                           y3="8.34393"
                           yFract="0.9886173"
                           z3="6.30342"
                           zFract="0.28368227"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21515"
                           xFract="0.49942536"
                           y3="8.31497"
                           yFract="0.98518602"
                           z3="4.19579"
                           zFract="0.18882943"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27017"
                           xFract="0.50594431"
                           y3="0.00281"
                           yFract="0.00033294"
                           z3="8.45564"
                           zFract="0.38054185"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33035"
                           xFract="0.75004147"
                           y3="2.07554"
                           yFract="0.24591706"
                           z3="4.07103"
                           zFract="0.18321467"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.52954"
                           xFract="0.77364218"
                           y3="2.11458"
                           yFract="0.25054265"
                           z3="8.74474"
                           zFract="0.39355266"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4139"
                           xFract="0.99690758"
                           y3="6.42891"
                           yFract="0.76171919"
                           z3="6.37345"
                           zFract="0.28683393"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9604"
                           xFract="0.23227488"
                           y3="4.25981"
                           yFract="0.50471682"
                           z3="6.39718"
                           zFract="0.28790189"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02397"
                           xFract="0.00284005"
                           y3="4.18945"
                           yFract="0.49638033"
                           z3="4.11665"
                           zFract="0.18526778"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17456"
                           xFract="0.02068246"
                           y3="4.17819"
                           yFract="0.49504621"
                           z3="9.17346"
                           zFract="0.41284698"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20634"
                           xFract="0.26141469"
                           y3="6.32801"
                           yFract="0.74976422"
                           z3="4.26953"
                           zFract="0.19214806"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06423"
                           xFract="0.24457701"
                           y3="6.35118"
                           yFract="0.75250948"
                           z3="8.4579"
                           zFract="0.38064356"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23246"
                           xFract="0.5014763"
                           y3="6.3426"
                           yFract="0.75149289"
                           z3="6.26465"
                           zFract="0.28193744"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43069"
                           xFract="0.76193009"
                           y3="4.3270"
                           yFract="0.51267773"
                           z3="6.31736"
                           zFract="0.28430963"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19166"
                           xFract="0.49664218"
                           y3="4.37279"
                           yFract="0.51810308"
                           z3="4.27406"
                           zFract="0.19235194"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1355"
                           xFract="0.48998815"
                           y3="4.2276"
                           yFract="0.50090047"
                           z3="8.49791"
                           zFract="0.38244419"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19115"
                           xFract="0.73354858"
                           y3="6.36287"
                           yFract="0.75389455"
                           z3="4.22029"
                           zFract="0.18993204"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40297"
                           xFract="0.75864573"
                           y3="6.28054"
                           yFract="0.74413981"
                           z3="8.45337"
                           zFract="0.38043969"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.00786"
                           xFract="0.00093128"
                           y3="4.17743"
                           yFract="0.49495616"
                           z3="10.13103"
                           zFract="0.45594194"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01199"
                           xFract="-0.00142062"
                           y3="6.34269"
                           yFract="0.75150355"
                           z3="8.4913"
                           zFract="0.38214671"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34333"
                           xFract="0.75157938"
                           y3="0.0161"
                           yFract="0.00190758"
                           z3="4.24127"
                           zFract="0.19087624"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00386"
                           xFract="0.00045735"
                           y3="2.07333"
                           yFract="0.24565521"
                           z3="8.56725"
                           zFract="0.38556481"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34314"
                           xFract="0.75155687"
                           y3="6.3361"
                           yFract="0.75072275"
                           z3="6.35797"
                           zFract="0.28613726"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20743"
                           xFract="0.49851066"
                           y3="6.34316"
                           yFract="0.75155924"
                           z3="4.21631"
                           zFract="0.18975293"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43328"
                           xFract="0.99920379"
                           y3="0.02607"
                           yFract="0.00308886"
                           z3="6.35784"
                           zFract="0.28613141"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42195"
                           xFract="0.99786137"
                           y3="2.10643"
                           yFract="0.24957701"
                           z3="4.22408"
                           zFract="0.19010261"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11085"
                           xFract="0.25010071"
                           y3="4.19235"
                           yFract="0.49672393"
                           z3="8.45042"
                           zFract="0.38030693"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09174"
                           xFract="0.24783649"
                           y3="4.21268"
                           yFract="0.4991327"
                           z3="4.24361"
                           zFract="0.19098155"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07647"
                           xFract="0.24602725"
                           y3="6.34578"
                           yFract="0.75186967"
                           z3="6.35333"
                           zFract="0.28592844"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09307"
                           xFract="0.24799408"
                           y3="0.00928"
                           yFract="0.00109953"
                           z3="4.21122"
                           zFract="0.18952385"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25362"
                           xFract="0.50398341"
                           y3="0.03989"
                           yFract="0.0047263"
                           z3="6.30751"
                           zFract="0.28386634"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3533"
                           xFract="0.75276066"
                           y3="2.12137"
                           yFract="0.25134716"
                           z3="6.42747"
                           zFract="0.28926508"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.24082"
                           xFract="0.73943365"
                           y3="4.11137"
                           yFract="0.48712915"
                           z3="8.62231"
                           zFract="0.38804275"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25015"
                           xFract="0.50357227"
                           y3="2.11664"
                           yFract="0.25078673"
                           z3="8.58676"
                           zFract="0.38644284"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42303"
                           xFract="0.99798934"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="4.24581"
                           zFract="0.19108056"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40426"
                           xFract="0.9957654"
                           y3="4.23198"
                           yFract="0.50141943"
                           z3="6.36113"
                           zFract="0.28627948"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22789"
                           xFract="0.50093483"
                           y3="2.11307"
                           yFract="0.25036374"
                           z3="4.18613"
                           zFract="0.18839469"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.11276"
                           xFract="0.25032701"
                           y3="2.10775"
                           yFract="0.24973341"
                           z3="6.37123"
                           zFract="0.28673402"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35848"
                           xFract="0.75337441"
                           y3="4.2029"
                           yFract="0.49797393"
                           z3="4.24793"
                           zFract="0.19117597"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25009"
                           xFract="0.50356517"
                           y3="6.32706"
                           yFract="0.74965166"
                           z3="8.47249"
                           zFract="0.38130018"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2659"
                           xFract="0.50543839"
                           y3="4.17445"
                           yFract="0.49460308"
                           z3="6.39587"
                           zFract="0.28784293"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13254"
                           xFract="0.25267062"
                           y3="0.0119"
                           yFract="0.00140995"
                           z3="8.42293"
                           zFract="0.37906976"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33961"
                           xFract="0.75113863"
                           y3="0.02956"
                           yFract="0.00350237"
                           z3="8.4967"
                           zFract="0.38238974"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30895"
                           xFract="0.98447275"
                           y3="2.05218"
                           yFract="0.24314929"
                           z3="6.31392"
                           zFract="0.28415482"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14961"
                           xFract="0.25469313"
                           y3="8.42209"
                           yFract="0.99787796"
                           z3="6.28935"
                           zFract="0.28304905"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0002"
                           xFract="-0.0000237"
                           y3="0.01245"
                           yFract="0.00147512"
                           z3="4.25892"
                           zFract="0.19167057"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42356"
                           xFract="0.99805213"
                           y3="0.05464"
                           yFract="0.00647393"
                           z3="8.38821"
                           zFract="0.3775072"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10582"
                           xFract="0.24950474"
                           y3="2.11489"
                           yFract="0.25057938"
                           z3="4.28472"
                           zFract="0.19283168"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97608"
                           xFract="0.2341327"
                           y3="2.0838"
                           yFract="0.24689573"
                           z3="8.45508"
                           zFract="0.38051665"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3909"
                           xFract="0.52024882"
                           y3="2.11152"
                           yFract="0.25018009"
                           z3="6.22446"
                           zFract="0.28012871"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33558"
                           xFract="0.75066114"
                           y3="8.34411"
                           yFract="0.98863863"
                           z3="6.30338"
                           zFract="0.28368047"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21472"
                           xFract="0.49937441"
                           y3="8.31415"
                           yFract="0.98508886"
                           z3="4.19627"
                           zFract="0.18885104"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27041"
                           xFract="0.50597275"
                           y3="0.00316"
                           yFract="0.00037441"
                           z3="8.45576"
                           zFract="0.38054725"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3294"
                           xFract="0.74992891"
                           y3="2.07562"
                           yFract="0.24592654"
                           z3="4.07087"
                           zFract="0.18320747"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.5320"
                           xFract="0.77393365"
                           y3="2.11489"
                           yFract="0.25057938"
                           z3="8.74643"
                           zFract="0.39362871"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41404"
                           xFract="0.99692417"
                           y3="6.42916"
                           yFract="0.76174882"
                           z3="6.37388"
                           zFract="0.28685329"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9604"
                           xFract="0.23227488"
                           y3="4.25981"
                           yFract="0.50471682"
                           z3="6.39747"
                           zFract="0.28791494"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02392"
                           xFract="0.00283412"
                           y3="4.18892"
                           yFract="0.49631754"
                           z3="4.11682"
                           zFract="0.18527543"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.17584"
                           xFract="0.02083412"
                           y3="4.17714"
                           yFract="0.4949218"
                           z3="9.1727"
                           zFract="0.41281278"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20578"
                           xFract="0.26134834"
                           y3="6.32823"
                           yFract="0.74979028"
                           z3="4.26961"
                           zFract="0.19215167"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06505"
                           xFract="0.24467417"
                           y3="6.35189"
                           yFract="0.7525936"
                           z3="8.45831"
                           zFract="0.38066202"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23218"
                           xFract="0.50144313"
                           y3="6.34203"
                           yFract="0.75142536"
                           z3="6.26498"
                           zFract="0.2819523"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43155"
                           xFract="0.76203199"
                           y3="4.3263"
                           yFract="0.51259479"
                           z3="6.31714"
                           zFract="0.28429973"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19168"
                           xFract="0.49664455"
                           y3="4.37308"
                           yFract="0.51813744"
                           z3="4.27431"
                           zFract="0.19236319"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13562"
                           xFract="0.49000237"
                           y3="4.22682"
                           yFract="0.50080806"
                           z3="8.49891"
                           zFract="0.3824892"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19141"
                           xFract="0.73357938"
                           y3="6.36267"
                           yFract="0.75387085"
                           z3="4.22048"
                           zFract="0.18994059"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40322"
                           xFract="0.75867536"
                           y3="6.28005"
                           yFract="0.74408175"
                           z3="8.45388"
                           zFract="0.38046265"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.45">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.01111"
                           xFract="0.00131635"
                           y3="4.17787"
                           yFract="0.49500829"
                           z3="10.13468"
                           zFract="0.45610621"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01151"
                           xFract="-0.00136374"
                           y3="6.34385"
                           yFract="0.751641"
                           z3="8.49115"
                           zFract="0.38213996"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34155"
                           xFract="0.75136848"
                           y3="0.01556"
                           yFract="0.0018436"
                           z3="4.2409"
                           zFract="0.19085959"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0026"
                           xFract="0.00030806"
                           y3="2.07499"
                           yFract="0.2458519"
                           z3="8.57419"
                           zFract="0.38587714"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34379"
                           xFract="0.75163389"
                           y3="6.33565"
                           yFract="0.75066943"
                           z3="6.35948"
                           zFract="0.28620522"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20835"
                           xFract="0.49861967"
                           y3="6.34512"
                           yFract="0.75179147"
                           z3="4.21697"
                           zFract="0.18978263"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43236"
                           xFract="0.99909479"
                           y3="0.02572"
                           yFract="0.00304739"
                           z3="6.36151"
                           zFract="0.28629658"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42135"
                           xFract="0.99779028"
                           y3="2.1077"
                           yFract="0.24972749"
                           z3="4.22392"
                           zFract="0.19009541"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10885"
                           xFract="0.24986374"
                           y3="4.19121"
                           yFract="0.49658886"
                           z3="8.45146"
                           zFract="0.38035374"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09174"
                           xFract="0.24783649"
                           y3="4.21265"
                           yFract="0.49912915"
                           z3="4.24412"
                           zFract="0.1910045"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07603"
                           xFract="0.24597512"
                           y3="6.34604"
                           yFract="0.75190047"
                           z3="6.35443"
                           zFract="0.28597795"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09423"
                           xFract="0.24813152"
                           y3="0.00938"
                           yFract="0.00111137"
                           z3="4.21104"
                           zFract="0.18951575"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2529"
                           xFract="0.5038981"
                           y3="0.04005"
                           yFract="0.00474526"
                           z3="6.30785"
                           zFract="0.28388164"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35259"
                           xFract="0.75267654"
                           y3="2.12107"
                           yFract="0.25131161"
                           z3="6.42813"
                           zFract="0.28929478"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2422"
                           xFract="0.73959716"
                           y3="4.11193"
                           yFract="0.4871955"
                           z3="8.6228"
                           zFract="0.38806481"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25196"
                           xFract="0.50378673"
                           y3="2.1164"
                           yFract="0.25075829"
                           z3="8.5873"
                           zFract="0.38646715"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42269"
                           xFract="0.99794905"
                           y3="6.31774"
                           yFract="0.74854739"
                           z3="4.24568"
                           zFract="0.19107471"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40398"
                           xFract="0.99573223"
                           y3="4.23108"
                           yFract="0.5013128"
                           z3="6.36072"
                           zFract="0.28626103"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2278"
                           xFract="0.50092417"
                           y3="2.11328"
                           yFract="0.25038863"
                           z3="4.18733"
                           zFract="0.18844869"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.11084"
                           xFract="0.25009953"
                           y3="2.10769"
                           yFract="0.2497263"
                           z3="6.37318"
                           zFract="0.28682178"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35913"
                           xFract="0.75345142"
                           y3="4.20284"
                           yFract="0.49796682"
                           z3="4.2482"
                           zFract="0.19118812"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25005"
                           xFract="0.50356043"
                           y3="6.32678"
                           yFract="0.74961848"
                           z3="8.47361"
                           zFract="0.38135059"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26708"
                           xFract="0.5055782"
                           y3="4.1752"
                           yFract="0.49469194"
                           z3="6.39561"
                           zFract="0.28783123"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13244"
                           xFract="0.25265877"
                           y3="0.01306"
                           yFract="0.00154739"
                           z3="8.42474"
                           zFract="0.37915122"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33933"
                           xFract="0.75110545"
                           y3="0.03081"
                           yFract="0.00365047"
                           z3="8.49749"
                           zFract="0.38242529"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30836"
                           xFract="0.98440284"
                           y3="2.05019"
                           yFract="0.24291351"
                           z3="6.30876"
                           zFract="0.28392259"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14851"
                           xFract="0.2545628"
                           y3="8.42255"
                           yFract="0.99793246"
                           z3="6.28881"
                           zFract="0.28302475"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00084"
                           xFract="0.00009953"
                           y3="0.01345"
                           yFract="0.0015936"
                           z3="4.25754"
                           zFract="0.19160846"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42146"
                           xFract="0.99780332"
                           y3="0.05678"
                           yFract="0.00672749"
                           z3="8.38688"
                           zFract="0.37744734"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10706"
                           xFract="0.24965166"
                           y3="2.11408"
                           yFract="0.25048341"
                           z3="4.28616"
                           zFract="0.19289649"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97375"
                           xFract="0.23385664"
                           y3="2.08138"
                           yFract="0.246609"
                           z3="8.45568"
                           zFract="0.38054365"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39132"
                           xFract="0.52029858"
                           y3="2.1116"
                           yFract="0.25018957"
                           z3="6.22663"
                           zFract="0.28022637"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33476"
                           xFract="0.75056398"
                           y3="8.34448"
                           yFract="0.98868246"
                           z3="6.30332"
                           zFract="0.28367777"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21385"
                           xFract="0.49927133"
                           y3="8.3125"
                           yFract="0.98489336"
                           z3="4.19724"
                           zFract="0.18889469"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27091"
                           xFract="0.50603199"
                           y3="0.00385"
                           yFract="0.00045616"
                           z3="8.4560"
                           zFract="0.38055806"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3275"
                           xFract="0.74970379"
                           y3="2.07578"
                           yFract="0.2459455"
                           z3="4.07055"
                           zFract="0.18319307"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.53691"
                           xFract="0.7745154"
                           y3="2.11551"
                           yFract="0.25065284"
                           z3="8.7498"
                           zFract="0.39378038"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41431"
                           xFract="0.99695616"
                           y3="6.42967"
                           yFract="0.76180924"
                           z3="6.37474"
                           zFract="0.28689199"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9604"
                           xFract="0.23227488"
                           y3="4.25982"
                           yFract="0.50471801"
                           z3="6.39807"
                           zFract="0.28794194"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02382"
                           xFract="0.00282227"
                           y3="4.18786"
                           yFract="0.49619194"
                           z3="4.11715"
                           zFract="0.18529028"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.1784"
                           xFract="0.02113744"
                           y3="4.17505"
                           yFract="0.49467417"
                           z3="9.17117"
                           zFract="0.41274392"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20466"
                           xFract="0.26121564"
                           y3="6.32865"
                           yFract="0.74984005"
                           z3="4.26977"
                           zFract="0.19215887"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06671"
                           xFract="0.24487085"
                           y3="6.35332"
                           yFract="0.75276303"
                           z3="8.45913"
                           zFract="0.38069892"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2316"
                           xFract="0.50137441"
                           y3="6.34089"
                           yFract="0.75129028"
                           z3="6.26564"
                           zFract="0.281982"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43328"
                           xFract="0.76223697"
                           y3="4.3249"
                           yFract="0.51242891"
                           z3="6.31669"
                           zFract="0.28427948"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19171"
                           xFract="0.4966481"
                           y3="4.37366"
                           yFract="0.51820616"
                           z3="4.27481"
                           zFract="0.19238569"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13585"
                           xFract="0.49002962"
                           y3="4.22526"
                           yFract="0.50062322"
                           z3="8.50091"
                           zFract="0.38257921"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19192"
                           xFract="0.73363981"
                           y3="6.36226"
                           yFract="0.75382227"
                           z3="4.22086"
                           zFract="0.1899577"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40371"
                           xFract="0.75873341"
                           y3="6.27907"
                           yFract="0.74396564"
                           z3="8.45491"
                           zFract="0.380509"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.46">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.01759"
                           xFract="0.00208412"
                           y3="4.17876"
                           yFract="0.49511374"
                           z3="10.14197"
                           zFract="0.45643429"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01053"
                           xFract="-0.00124763"
                           y3="6.34616"
                           yFract="0.75191469"
                           z3="8.49086"
                           zFract="0.38212691"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33799"
                           xFract="0.75094668"
                           y3="0.01447"
                           yFract="0.00171445"
                           z3="4.24015"
                           zFract="0.19082583"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00008"
                           xFract="0.00000948"
                           y3="2.07831"
                           yFract="0.24624526"
                           z3="8.58807"
                           zFract="0.3865018"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34511"
                           xFract="0.75179028"
                           y3="6.33475"
                           yFract="0.7505628"
                           z3="6.36249"
                           zFract="0.28634068"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2102"
                           xFract="0.49883886"
                           y3="6.34902"
                           yFract="0.75225355"
                           z3="4.2183"
                           zFract="0.18984248"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43053"
                           xFract="0.99887796"
                           y3="0.02501"
                           yFract="0.00296327"
                           z3="6.36886"
                           zFract="0.28662736"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42013"
                           xFract="0.99764573"
                           y3="2.11025"
                           yFract="0.25002962"
                           z3="4.2236"
                           zFract="0.19008101"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10485"
                           xFract="0.24938981"
                           y3="4.18894"
                           yFract="0.49631991"
                           z3="8.45355"
                           zFract="0.38044779"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09173"
                           xFract="0.24783531"
                           y3="4.21258"
                           yFract="0.49912085"
                           z3="4.24515"
                           zFract="0.19105086"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07515"
                           xFract="0.24587085"
                           y3="6.34656"
                           yFract="0.75196209"
                           z3="6.35663"
                           zFract="0.28607696"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09656"
                           xFract="0.24840758"
                           y3="0.0096"
                           yFract="0.00113744"
                           z3="4.21069"
                           zFract="0.1895"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25146"
                           xFract="0.50372749"
                           y3="0.04039"
                           yFract="0.00478555"
                           z3="6.30853"
                           zFract="0.28391224"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35115"
                           xFract="0.75250592"
                           y3="2.12048"
                           yFract="0.25124171"
                           z3="6.42945"
                           zFract="0.28935419"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.24496"
                           xFract="0.73992417"
                           y3="4.11304"
                           yFract="0.48732701"
                           z3="8.62378"
                           zFract="0.38810891"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25558"
                           xFract="0.50421564"
                           y3="2.11594"
                           yFract="0.25070379"
                           z3="8.58836"
                           zFract="0.38651485"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42199"
                           xFract="0.99786611"
                           y3="6.3153"
                           yFract="0.74825829"
                           z3="4.24543"
                           zFract="0.19106346"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40342"
                           xFract="0.99566588"
                           y3="4.22928"
                           yFract="0.50109953"
                           z3="6.3599"
                           zFract="0.28622412"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22762"
                           xFract="0.50090284"
                           y3="2.11372"
                           yFract="0.25044076"
                           z3="4.18974"
                           zFract="0.18855716"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.10699"
                           xFract="0.24964336"
                           y3="2.10756"
                           yFract="0.2497109"
                           z3="6.37708"
                           zFract="0.2869973"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36041"
                           xFract="0.75360308"
                           y3="4.20272"
                           yFract="0.49795261"
                           z3="4.24873"
                           zFract="0.19121197"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.24998"
                           xFract="0.50355213"
                           y3="6.32624"
                           yFract="0.7495545"
                           z3="8.47583"
                           zFract="0.3814505"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26943"
                           xFract="0.50585664"
                           y3="4.1767"
                           yFract="0.49486967"
                           z3="6.39509"
                           zFract="0.28780783"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13222"
                           xFract="0.2526327"
                           y3="0.01537"
                           yFract="0.00182109"
                           z3="8.42834"
                           zFract="0.37931323"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33876"
                           xFract="0.75103791"
                           y3="0.0333"
                           yFract="0.0039455"
                           z3="8.49908"
                           zFract="0.38249685"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30718"
                           xFract="0.98426303"
                           y3="2.04621"
                           yFract="0.24244194"
                           z3="6.29843"
                           zFract="0.2834577"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14632"
                           xFract="0.25430332"
                           y3="8.42345"
                           yFract="0.9980391"
                           z3="6.28771"
                           zFract="0.28297525"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00291"
                           xFract="0.00034479"
                           y3="0.01544"
                           yFract="0.00182938"
                           z3="4.2548"
                           zFract="0.19148515"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41726"
                           xFract="0.99730569"
                           y3="0.06106"
                           yFract="0.0072346"
                           z3="8.38423"
                           zFract="0.37732808"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10955"
                           xFract="0.24994668"
                           y3="2.11248"
                           yFract="0.25029384"
                           z3="4.28906"
                           zFract="0.193027"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9691"
                           xFract="0.23330569"
                           y3="2.07652"
                           yFract="0.24603318"
                           z3="8.45689"
                           zFract="0.38059811"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39216"
                           xFract="0.5203981"
                           y3="2.11176"
                           yFract="0.25020853"
                           z3="6.23097"
                           zFract="0.28042169"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33311"
                           xFract="0.75036848"
                           y3="8.34523"
                           yFract="0.98877133"
                           z3="6.3032"
                           zFract="0.28367237"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21211"
                           xFract="0.49906517"
                           y3="8.30921"
                           yFract="0.98450355"
                           z3="4.19916"
                           zFract="0.1889811"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2719"
                           xFract="0.50614929"
                           y3="0.00523"
                           yFract="0.00061967"
                           z3="8.45648"
                           zFract="0.38057966"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3237"
                           xFract="0.74925355"
                           y3="2.0761"
                           yFract="0.24598341"
                           z3="4.0699"
                           zFract="0.18316382"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.54675"
                           xFract="0.77568128"
                           y3="2.11674"
                           yFract="0.25079858"
                           z3="8.75654"
                           zFract="0.39408371"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41485"
                           xFract="0.99702014"
                           y3="6.43069"
                           yFract="0.76193009"
                           z3="6.37645"
                           zFract="0.28696895"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96042"
                           xFract="0.23227725"
                           y3="4.25984"
                           yFract="0.50472038"
                           z3="6.39925"
                           zFract="0.28799505"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02362"
                           xFract="0.00279858"
                           y3="4.18573"
                           yFract="0.49593957"
                           z3="4.11781"
                           zFract="0.18531998"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.18351"
                           xFract="0.02174289"
                           y3="4.17086"
                           yFract="0.49417773"
                           z3="9.16812"
                           zFract="0.41260666"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20241"
                           xFract="0.26094905"
                           y3="6.32951"
                           yFract="0.74994194"
                           z3="4.27009"
                           zFract="0.19217327"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07002"
                           xFract="0.24526303"
                           y3="6.35617"
                           yFract="0.75310071"
                           z3="8.46078"
                           zFract="0.38077318"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23045"
                           xFract="0.50123815"
                           y3="6.33861"
                           yFract="0.75102014"
                           z3="6.26695"
                           zFract="0.28204095"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43675"
                           xFract="0.7626481"
                           y3="4.32211"
                           yFract="0.51209834"
                           z3="6.3158"
                           zFract="0.28423942"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19178"
                           xFract="0.4966564"
                           y3="4.37483"
                           yFract="0.51834479"
                           z3="4.27582"
                           zFract="0.19243114"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13631"
                           xFract="0.49008412"
                           y3="4.22214"
                           yFract="0.50025355"
                           z3="8.5049"
                           zFract="0.38275878"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19295"
                           xFract="0.73376185"
                           y3="6.36146"
                           yFract="0.75372749"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40469"
                           xFract="0.75884953"
                           y3="6.27712"
                           yFract="0.7437346"
                           z3="8.45697"
                           zFract="0.38060171"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.47">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.01459"
                           xFract="0.00172867"
                           y3="4.17835"
                           yFract="0.49506517"
                           z3="10.13859"
                           zFract="0.45628218"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01098"
                           xFract="-0.00130095"
                           y3="6.34509"
                           yFract="0.75178791"
                           z3="8.4910"
                           zFract="0.38213321"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33964"
                           xFract="0.75114218"
                           y3="0.01497"
                           yFract="0.0017737"
                           z3="4.24049"
                           zFract="0.19084113"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00125"
                           xFract="0.0001481"
                           y3="2.07677"
                           yFract="0.2460628"
                           z3="8.58164"
                           zFract="0.38621242"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3445"
                           xFract="0.75171801"
                           y3="6.33516"
                           yFract="0.75061137"
                           z3="6.3611"
                           zFract="0.28627813"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20934"
                           xFract="0.49873697"
                           y3="6.34721"
                           yFract="0.7520391"
                           z3="4.21768"
                           zFract="0.18981458"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43138"
                           xFract="0.99897867"
                           y3="0.02534"
                           yFract="0.00300237"
                           z3="6.36545"
                           zFract="0.2864739"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42069"
                           xFract="0.99771209"
                           y3="2.10907"
                           yFract="0.24988981"
                           z3="4.22374"
                           zFract="0.19008731"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1067"
                           xFract="0.249609"
                           y3="4.18999"
                           yFract="0.49644431"
                           z3="8.45258"
                           zFract="0.38040414"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09173"
                           xFract="0.24783531"
                           y3="4.21262"
                           yFract="0.49912559"
                           z3="4.24468"
                           zFract="0.1910297"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07556"
                           xFract="0.24591943"
                           y3="6.34632"
                           yFract="0.75193365"
                           z3="6.35561"
                           zFract="0.28603105"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09548"
                           xFract="0.24827962"
                           y3="0.0095"
                           yFract="0.00112559"
                           z3="4.21085"
                           zFract="0.1895072"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25213"
                           xFract="0.50380687"
                           y3="0.04023"
                           yFract="0.00476659"
                           z3="6.30822"
                           zFract="0.28389829"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35182"
                           xFract="0.75258531"
                           y3="2.12075"
                           yFract="0.2512737"
                           z3="6.42884"
                           zFract="0.28932673"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.24368"
                           xFract="0.73977251"
                           y3="4.11253"
                           yFract="0.48726659"
                           z3="8.62332"
                           zFract="0.38808821"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2539"
                           xFract="0.50401659"
                           y3="2.11615"
                           yFract="0.25072867"
                           z3="8.58787"
                           zFract="0.3864928"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42232"
                           xFract="0.99790521"
                           y3="6.31643"
                           yFract="0.74839218"
                           z3="4.24555"
                           zFract="0.19106886"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40368"
                           xFract="0.99569668"
                           y3="4.23011"
                           yFract="0.50119787"
                           z3="6.36028"
                           zFract="0.28624122"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2277"
                           xFract="0.50091232"
                           y3="2.11352"
                           yFract="0.25041706"
                           z3="4.18862"
                           zFract="0.18850675"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.10878"
                           xFract="0.24985545"
                           y3="2.10762"
                           yFract="0.24971801"
                           z3="6.37527"
                           zFract="0.28691584"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35982"
                           xFract="0.75353318"
                           y3="4.20278"
                           yFract="0.49795972"
                           z3="4.24848"
                           zFract="0.19120072"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25001"
                           xFract="0.50355569"
                           y3="6.32649"
                           yFract="0.74958412"
                           z3="8.4748"
                           zFract="0.38140414"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26834"
                           xFract="0.50572749"
                           y3="4.1760"
                           yFract="0.49478673"
                           z3="6.39533"
                           zFract="0.28781863"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13232"
                           xFract="0.25264455"
                           y3="0.0143"
                           yFract="0.00169431"
                           z3="8.42667"
                           zFract="0.37923807"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33902"
                           xFract="0.75106872"
                           y3="0.03215"
                           yFract="0.00380924"
                           z3="8.49834"
                           zFract="0.38246355"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30772"
                           xFract="0.98432701"
                           y3="2.04805"
                           yFract="0.24265995"
                           z3="6.30321"
                           zFract="0.28367282"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14734"
                           xFract="0.25442417"
                           y3="8.42303"
                           yFract="0.99798934"
                           z3="6.28822"
                           zFract="0.2829982"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00195"
                           xFract="0.00023104"
                           y3="0.01452"
                           yFract="0.00172038"
                           z3="4.25607"
                           zFract="0.1915423"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41921"
                           xFract="0.99753673"
                           y3="0.05908"
                           yFract="0.0070"
                           z3="8.38546"
                           zFract="0.37738344"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1084"
                           xFract="0.24981043"
                           y3="2.11322"
                           yFract="0.25038152"
                           z3="4.28772"
                           zFract="0.1929667"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97126"
                           xFract="0.23356161"
                           y3="2.07877"
                           yFract="0.24629976"
                           z3="8.45633"
                           zFract="0.38057291"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39177"
                           xFract="0.5203519"
                           y3="2.11169"
                           yFract="0.25020024"
                           z3="6.22896"
                           zFract="0.28033123"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33387"
                           xFract="0.75045853"
                           y3="8.34488"
                           yFract="0.98872986"
                           z3="6.30326"
                           zFract="0.28367507"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21292"
                           xFract="0.49916114"
                           y3="8.31074"
                           yFract="0.98468483"
                           z3="4.19827"
                           zFract="0.18894104"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27144"
                           xFract="0.50609479"
                           y3="0.00459"
                           yFract="0.00054384"
                           z3="8.45626"
                           zFract="0.38056976"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32546"
                           xFract="0.74946209"
                           y3="2.07595"
                           yFract="0.24596564"
                           z3="4.0702"
                           zFract="0.18317732"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.54219"
                           xFract="0.775141"
                           y3="2.11617"
                           yFract="0.25073104"
                           z3="8.75341"
                           zFract="0.39394284"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4146"
                           xFract="0.99699052"
                           y3="6.43022"
                           yFract="0.76187441"
                           z3="6.37566"
                           zFract="0.28693339"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96041"
                           xFract="0.23227607"
                           y3="4.25983"
                           yFract="0.50471919"
                           z3="6.3987"
                           zFract="0.2879703"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02372"
                           xFract="0.00281043"
                           y3="4.18672"
                           yFract="0.49605687"
                           z3="4.1175"
                           zFract="0.18530603"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.18114"
                           xFract="0.02146209"
                           y3="4.1728"
                           yFract="0.49440758"
                           z3="9.16954"
                           zFract="0.41267057"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20345"
                           xFract="0.26107227"
                           y3="6.32911"
                           yFract="0.74989455"
                           z3="4.26995"
                           zFract="0.19216697"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06849"
                           xFract="0.24508175"
                           y3="6.35485"
                           yFract="0.75294431"
                           z3="8.46002"
                           zFract="0.38073897"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23099"
                           xFract="0.50130213"
                           y3="6.33967"
                           yFract="0.75114573"
                           z3="6.26634"
                           zFract="0.2820135"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43514"
                           xFract="0.76245735"
                           y3="4.32341"
                           yFract="0.51225237"
                           z3="6.31621"
                           zFract="0.28425788"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19175"
                           xFract="0.49665284"
                           y3="4.37429"
                           yFract="0.51828081"
                           z3="4.27535"
                           zFract="0.19240999"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13609"
                           xFract="0.49005806"
                           y3="4.22359"
                           yFract="0.50042536"
                           z3="8.50305"
                           zFract="0.38267552"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19247"
                           xFract="0.73370498"
                           y3="6.36183"
                           yFract="0.75377133"
                           z3="4.22126"
                           zFract="0.1899757"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40423"
                           xFract="0.75879502"
                           y3="6.27802"
                           yFract="0.74384123"
                           z3="8.45602"
                           zFract="0.38055896"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.48">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.01578"
                           xFract="0.00186967"
                           y3="4.17847"
                           yFract="0.49507938"
                           z3="10.13897"
                           zFract="0.45629928"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01084"
                           xFract="-0.00128436"
                           y3="6.34552"
                           yFract="0.75183886"
                           z3="8.49088"
                           zFract="0.38212781"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33921"
                           xFract="0.75109123"
                           y3="0.01482"
                           yFract="0.00175592"
                           z3="4.24044"
                           zFract="0.19083888"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00121"
                           xFract="0.00014336"
                           y3="2.07727"
                           yFract="0.24612204"
                           z3="8.58411"
                           zFract="0.38632358"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34469"
                           xFract="0.75174052"
                           y3="6.33504"
                           yFract="0.75059716"
                           z3="6.36154"
                           zFract="0.28629793"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20946"
                           xFract="0.49875118"
                           y3="6.34741"
                           yFract="0.7520628"
                           z3="4.21791"
                           zFract="0.18982493"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43111"
                           xFract="0.99894668"
                           y3="0.02537"
                           yFract="0.00300592"
                           z3="6.36624"
                           zFract="0.28650945"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42051"
                           xFract="0.99769076"
                           y3="2.10933"
                           yFract="0.24992062"
                           z3="4.2237"
                           zFract="0.19008551"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1063"
                           xFract="0.24956161"
                           y3="4.18961"
                           yFract="0.49639929"
                           z3="8.45285"
                           zFract="0.38041629"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09177"
                           xFract="0.24784005"
                           y3="4.21261"
                           yFract="0.49912441"
                           z3="4.24488"
                           zFract="0.1910387"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07545"
                           xFract="0.2459064"
                           y3="6.34641"
                           yFract="0.75194431"
                           z3="6.35595"
                           zFract="0.28604635"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09572"
                           xFract="0.24830806"
                           y3="0.00953"
                           yFract="0.00112915"
                           z3="4.21084"
                           zFract="0.18950675"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25189"
                           xFract="0.50377844"
                           y3="0.04027"
                           yFract="0.00477133"
                           z3="6.30841"
                           zFract="0.28390684"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35177"
                           xFract="0.75257938"
                           y3="2.12062"
                           yFract="0.25125829"
                           z3="6.42904"
                           zFract="0.28933573"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.24414"
                           xFract="0.73982701"
                           y3="4.11272"
                           yFract="0.4872891"
                           z3="8.62348"
                           zFract="0.38809541"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25447"
                           xFract="0.50408412"
                           y3="2.11612"
                           yFract="0.25072512"
                           z3="8.5880"
                           zFract="0.38649865"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42222"
                           xFract="0.99789336"
                           y3="6.31612"
                           yFract="0.74835545"
                           z3="4.24554"
                           zFract="0.19106841"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40371"
                           xFract="0.99570024"
                           y3="4.22973"
                           yFract="0.50115284"
                           z3="6.3602"
                           zFract="0.28623762"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22768"
                           xFract="0.50090995"
                           y3="2.11362"
                           yFract="0.25042891"
                           z3="4.1890"
                           zFract="0.18852385"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.10807"
                           xFract="0.24977133"
                           y3="2.10757"
                           yFract="0.24971209"
                           z3="6.37589"
                           zFract="0.28694374"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35997"
                           xFract="0.75355095"
                           y3="4.20277"
                           yFract="0.49795853"
                           z3="4.24856"
                           zFract="0.19120432"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25001"
                           xFract="0.50355569"
                           y3="6.32643"
                           yFract="0.74957701"
                           z3="8.47515"
                           zFract="0.38141989"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26866"
                           xFract="0.5057654"
                           y3="4.17624"
                           yFract="0.49481517"
                           z3="6.3953"
                           zFract="0.28781728"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13231"
                           xFract="0.25264336"
                           y3="0.01463"
                           yFract="0.00173341"
                           z3="8.42718"
                           zFract="0.37926103"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33889"
                           xFract="0.75105332"
                           y3="0.03254"
                           yFract="0.00385545"
                           z3="8.49857"
                           zFract="0.3824739"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30744"
                           xFract="0.98429384"
                           y3="2.04741"
                           yFract="0.24258412"
                           z3="6.30148"
                           zFract="0.28359496"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14706"
                           xFract="0.254391"
                           y3="8.42314"
                           yFract="0.99800237"
                           z3="6.28816"
                           zFract="0.2829955"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00217"
                           xFract="0.00025711"
                           y3="0.01476"
                           yFract="0.00174882"
                           z3="4.25567"
                           zFract="0.1915243"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.4185"
                           xFract="0.99745261"
                           y3="0.05985"
                           yFract="0.00709123"
                           z3="8.38516"
                           zFract="0.37736994"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1089"
                           xFract="0.24986967"
                           y3="2.11304"
                           yFract="0.25036019"
                           z3="4.28814"
                           zFract="0.1929856"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97028"
                           xFract="0.2334455"
                           y3="2.07807"
                           yFract="0.24621682"
                           z3="8.45654"
                           zFract="0.38058236"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39184"
                           xFract="0.52036019"
                           y3="2.1117"
                           yFract="0.25020142"
                           z3="6.22962"
                           zFract="0.28036094"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33359"
                           xFract="0.75042536"
                           y3="8.34498"
                           yFract="0.98874171"
                           z3="6.30324"
                           zFract="0.28367417"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21269"
                           xFract="0.49913389"
                           y3="8.31034"
                           yFract="0.98463744"
                           z3="4.19857"
                           zFract="0.18895455"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27165"
                           xFract="0.50611967"
                           y3="0.00477"
                           yFract="0.00056517"
                           z3="8.45633"
                           zFract="0.38057291"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32478"
                           xFract="0.74938152"
                           y3="2.07599"
                           yFract="0.24597038"
                           z3="4.07008"
                           zFract="0.18317192"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.5437"
                           xFract="0.77531991"
                           y3="2.11643"
                           yFract="0.25076185"
                           z3="8.75457"
                           zFract="0.39399505"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41465"
                           xFract="0.99699645"
                           y3="6.4304"
                           yFract="0.76189573"
                           z3="6.37602"
                           zFract="0.28694959"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96039"
                           xFract="0.2322737"
                           y3="4.25983"
                           yFract="0.50471919"
                           z3="6.39887"
                           zFract="0.28797795"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0237"
                           xFract="0.00280806"
                           y3="4.18644"
                           yFract="0.4960237"
                           z3="4.11753"
                           zFract="0.18530738"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.18169"
                           xFract="0.02152725"
                           y3="4.17206"
                           yFract="0.49431991"
                           z3="9.16997"
                           zFract="0.41268992"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20317"
                           xFract="0.2610391"
                           y3="6.32924"
                           yFract="0.74990995"
                           z3="4.26998"
                           zFract="0.19216832"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06897"
                           xFract="0.24513863"
                           y3="6.35528"
                           yFract="0.75299526"
                           z3="8.46031"
                           zFract="0.38075203"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23084"
                           xFract="0.50128436"
                           y3="6.33939"
                           yFract="0.75111256"
                           z3="6.26655"
                           zFract="0.28202295"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43557"
                           xFract="0.76250829"
                           y3="4.32297"
                           yFract="0.51220024"
                           z3="6.31613"
                           zFract="0.28425428"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1918"
                           xFract="0.49665877"
                           y3="4.37459"
                           yFract="0.51831635"
                           z3="4.2755"
                           zFract="0.19241674"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13619"
                           xFract="0.49006991"
                           y3="4.22311"
                           yFract="0.50036848"
                           z3="8.50366"
                           zFract="0.38270297"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19269"
                           xFract="0.73373104"
                           y3="6.36174"
                           yFract="0.75376066"
                           z3="4.22137"
                           zFract="0.18998065"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40434"
                           xFract="0.75880806"
                           y3="6.27762"
                           yFract="0.74379384"
                           z3="8.45635"
                           zFract="0.38057381"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.49">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.01936"
                           xFract="0.00229384"
                           y3="4.17883"
                           yFract="0.49512204"
                           z3="10.14011"
                           zFract="0.45635059"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0104"
                           xFract="-0.00123223"
                           y3="6.34682"
                           yFract="0.75199289"
                           z3="8.49053"
                           zFract="0.38211206"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33791"
                           xFract="0.7509372"
                           y3="0.01438"
                           yFract="0.00170379"
                           z3="4.24029"
                           zFract="0.19083213"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0011"
                           xFract="0.00013033"
                           y3="2.07876"
                           yFract="0.24629858"
                           z3="8.59152"
                           zFract="0.38665707"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34528"
                           xFract="0.75181043"
                           y3="6.33466"
                           yFract="0.75055213"
                           z3="6.36286"
                           zFract="0.28635734"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2098"
                           xFract="0.49879147"
                           y3="6.34801"
                           yFract="0.75213389"
                           z3="4.2186"
                           zFract="0.18985599"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43029"
                           xFract="0.99884953"
                           y3="0.02544"
                           yFract="0.00301422"
                           z3="6.36858"
                           zFract="0.28661476"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41994"
                           xFract="0.99762322"
                           y3="2.11011"
                           yFract="0.25001303"
                           z3="4.22357"
                           zFract="0.19007966"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10508"
                           xFract="0.24941706"
                           y3="4.18847"
                           yFract="0.49626422"
                           z3="8.45366"
                           zFract="0.38045275"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09189"
                           xFract="0.24785427"
                           y3="4.21261"
                           yFract="0.49912441"
                           z3="4.24548"
                           zFract="0.19106571"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07512"
                           xFract="0.2458673"
                           y3="6.34668"
                           yFract="0.7519763"
                           z3="6.35696"
                           zFract="0.28609181"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09642"
                           xFract="0.248391"
                           y3="0.0096"
                           yFract="0.00113744"
                           z3="4.21081"
                           zFract="0.1895054"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25119"
                           xFract="0.5036955"
                           y3="0.0404"
                           yFract="0.00478673"
                           z3="6.30901"
                           zFract="0.28393384"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35161"
                           xFract="0.75256043"
                           y3="2.12023"
                           yFract="0.25121209"
                           z3="6.42963"
                           zFract="0.28936229"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.24552"
                           xFract="0.73999052"
                           y3="4.11329"
                           yFract="0.48735664"
                           z3="8.62394"
                           zFract="0.38811611"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25616"
                           xFract="0.50428436"
                           y3="2.11602"
                           yFract="0.25071327"
                           z3="8.58842"
                           zFract="0.38651755"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42195"
                           xFract="0.99786137"
                           y3="6.3152"
                           yFract="0.74824645"
                           z3="4.24552"
                           zFract="0.19106751"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40379"
                           xFract="0.99570972"
                           y3="4.22858"
                           yFract="0.50101659"
                           z3="6.35997"
                           zFract="0.28622727"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2276"
                           xFract="0.50090047"
                           y3="2.11392"
                           yFract="0.25046445"
                           z3="4.19016"
                           zFract="0.18857606"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.10594"
                           xFract="0.24951896"
                           y3="2.10742"
                           yFract="0.24969431"
                           z3="6.37772"
                           zFract="0.2870261"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36044"
                           xFract="0.75360664"
                           y3="4.20274"
                           yFract="0.49795498"
                           z3="4.24877"
                           zFract="0.19121377"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25002"
                           xFract="0.50355687"
                           y3="6.32625"
                           yFract="0.74955569"
                           z3="8.47621"
                           zFract="0.3814676"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26962"
                           xFract="0.50587915"
                           y3="4.17694"
                           yFract="0.4948981"
                           z3="6.3952"
                           zFract="0.28781278"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1323"
                           xFract="0.25264218"
                           y3="0.01565"
                           yFract="0.00185427"
                           z3="8.42872"
                           zFract="0.37933033"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33847"
                           xFract="0.75100355"
                           y3="0.0337"
                           yFract="0.00399289"
                           z3="8.49926"
                           zFract="0.38250495"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.3066"
                           xFract="0.98419431"
                           y3="2.04548"
                           yFract="0.24235545"
                           z3="6.29626"
                           zFract="0.28336004"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14622"
                           xFract="0.25429147"
                           y3="8.42349"
                           yFract="0.99804384"
                           z3="6.28798"
                           zFract="0.2829874"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00281"
                           xFract="0.00033294"
                           y3="0.01547"
                           yFract="0.00183294"
                           z3="4.25446"
                           zFract="0.19146985"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41638"
                           xFract="0.99720142"
                           y3="0.06218"
                           yFract="0.0073673"
                           z3="8.38425"
                           zFract="0.37732898"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1104"
                           xFract="0.25004739"
                           y3="2.11248"
                           yFract="0.25029384"
                           z3="4.28939"
                           zFract="0.19304185"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96736"
                           xFract="0.23309953"
                           y3="2.07597"
                           yFract="0.24596801"
                           z3="8.45718"
                           zFract="0.38061116"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39208"
                           xFract="0.52038863"
                           y3="2.11173"
                           yFract="0.25020498"
                           z3="6.23161"
                           zFract="0.2804505"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33274"
                           xFract="0.75032464"
                           y3="8.34526"
                           yFract="0.98877488"
                           z3="6.30319"
                           zFract="0.28367192"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2120"
                           xFract="0.49905213"
                           y3="8.30914"
                           yFract="0.98449526"
                           z3="4.19945"
                           zFract="0.18899415"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27228"
                           xFract="0.50619431"
                           y3="0.0053"
                           yFract="0.00062796"
                           z3="8.45657"
                           zFract="0.38058371"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32274"
                           xFract="0.74913981"
                           y3="2.07612"
                           yFract="0.24598578"
                           z3="4.06973"
                           zFract="0.18315617"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.54824"
                           xFract="0.77585782"
                           y3="2.11722"
                           yFract="0.25085545"
                           z3="8.75803"
                           zFract="0.39415077"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41479"
                           xFract="0.99701303"
                           y3="6.43095"
                           yFract="0.7619609"
                           z3="6.37711"
                           zFract="0.28699865"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96034"
                           xFract="0.23226777"
                           y3="4.25982"
                           yFract="0.50471801"
                           z3="6.39937"
                           zFract="0.28800045"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02365"
                           xFract="0.00280213"
                           y3="4.18561"
                           yFract="0.49592536"
                           z3="4.11762"
                           zFract="0.18531143"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.18333"
                           xFract="0.02172156"
                           y3="4.16984"
                           yFract="0.49405687"
                           z3="9.17129"
                           zFract="0.41274932"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20232"
                           xFract="0.26093839"
                           y3="6.32963"
                           yFract="0.74995616"
                           z3="4.27009"
                           zFract="0.19217327"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07043"
                           xFract="0.24531161"
                           y3="6.35659"
                           yFract="0.75315047"
                           z3="8.46121"
                           zFract="0.38079253"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23039"
                           xFract="0.50123104"
                           y3="6.33856"
                           yFract="0.75101422"
                           z3="6.26718"
                           zFract="0.28205131"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43685"
                           xFract="0.76265995"
                           y3="4.32165"
                           yFract="0.51204384"
                           z3="6.3159"
                           zFract="0.28424392"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19197"
                           xFract="0.49667891"
                           y3="4.37548"
                           yFract="0.5184218"
                           z3="4.27593"
                           zFract="0.19243609"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13646"
                           xFract="0.4901019"
                           y3="4.22167"
                           yFract="0.50019787"
                           z3="8.50548"
                           zFract="0.38278488"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19336"
                           xFract="0.73381043"
                           y3="6.36145"
                           yFract="0.7537263"
                           z3="4.2217"
                           zFract="0.1899955"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40464"
                           xFract="0.7588436"
                           y3="6.27643"
                           yFract="0.74365284"
                           z3="8.45736"
                           zFract="0.38061926"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.50">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.02652"
                           xFract="0.00314218"
                           y3="4.17954"
                           yFract="0.49520616"
                           z3="10.14239"
                           zFract="0.4564532"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00953"
                           xFract="-0.00112915"
                           y3="6.3494"
                           yFract="0.75229858"
                           z3="8.48984"
                           zFract="0.38208101"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33532"
                           xFract="0.75063033"
                           y3="0.01348"
                           yFract="0.00159716"
                           z3="4.23998"
                           zFract="0.19081818"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00089"
                           xFract="0.00010545"
                           y3="2.08174"
                           yFract="0.24665166"
                           z3="8.60633"
                           zFract="0.38732358"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34644"
                           xFract="0.75194787"
                           y3="6.33392"
                           yFract="0.75046445"
                           z3="6.3655"
                           zFract="0.28647615"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21048"
                           xFract="0.49887204"
                           y3="6.34919"
                           yFract="0.7522737"
                           z3="4.21998"
                           zFract="0.18991809"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42866"
                           xFract="0.9986564"
                           y3="0.02559"
                           yFract="0.00303199"
                           z3="6.37328"
                           zFract="0.28682628"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41881"
                           xFract="0.99748934"
                           y3="2.11168"
                           yFract="0.25019905"
                           z3="4.2233"
                           zFract="0.19006751"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10263"
                           xFract="0.24912678"
                           y3="4.18617"
                           yFract="0.49599171"
                           z3="8.45528"
                           zFract="0.38052565"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09213"
                           xFract="0.2478827"
                           y3="4.21261"
                           yFract="0.49912441"
                           z3="4.24669"
                           zFract="0.19112016"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07446"
                           xFract="0.2457891"
                           y3="6.34723"
                           yFract="0.75204147"
                           z3="6.35899"
                           zFract="0.28618317"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09782"
                           xFract="0.24855687"
                           y3="0.00975"
                           yFract="0.00115521"
                           z3="4.21073"
                           zFract="0.1895018"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24978"
                           xFract="0.50352844"
                           y3="0.04065"
                           yFract="0.00481635"
                           z3="6.3102"
                           zFract="0.2839874"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3513"
                           xFract="0.7525237"
                           y3="2.11945"
                           yFract="0.25111967"
                           z3="6.43081"
                           zFract="0.28941539"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.24828"
                           xFract="0.74031754"
                           y3="4.11443"
                           yFract="0.48749171"
                           z3="8.62485"
                           zFract="0.38815707"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25955"
                           xFract="0.50468602"
                           y3="2.11581"
                           yFract="0.25068839"
                           z3="8.58924"
                           zFract="0.38655446"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42141"
                           xFract="0.99779739"
                           y3="6.31335"
                           yFract="0.74802725"
                           z3="4.24547"
                           zFract="0.19106526"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40396"
                           xFract="0.99572986"
                           y3="4.22629"
                           yFract="0.50074526"
                           z3="6.3595"
                           zFract="0.28620612"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22745"
                           xFract="0.5008827"
                           y3="2.11453"
                           yFract="0.25053673"
                           z3="4.19247"
                           zFract="0.18868002"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.1017"
                           xFract="0.24901659"
                           y3="2.10713"
                           yFract="0.24965995"
                           z3="6.3814"
                           zFract="0.28719172"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36139"
                           xFract="0.75371919"
                           y3="4.2027"
                           yFract="0.49795024"
                           z3="4.2492"
                           zFract="0.19123312"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25004"
                           xFract="0.50355924"
                           y3="6.32588"
                           yFract="0.74951185"
                           z3="8.47831"
                           zFract="0.38156211"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27154"
                           xFract="0.50610664"
                           y3="4.17835"
                           yFract="0.49506517"
                           z3="6.39499"
                           zFract="0.28780333"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13227"
                           xFract="0.25263863"
                           y3="0.01768"
                           yFract="0.00209479"
                           z3="8.4318"
                           zFract="0.37946895"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33765"
                           xFract="0.7509064"
                           y3="0.03604"
                           yFract="0.00427014"
                           z3="8.50063"
                           zFract="0.38256661"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30492"
                           xFract="0.98399526"
                           y3="2.04161"
                           yFract="0.24189692"
                           z3="6.28582"
                           zFract="0.28289019"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14455"
                           xFract="0.2540936"
                           y3="8.42418"
                           yFract="0.99812559"
                           z3="6.28763"
                           zFract="0.28297165"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00411"
                           xFract="0.00048697"
                           y3="0.01691"
                           yFract="0.00200355"
                           z3="4.25205"
                           zFract="0.19136139"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.41213"
                           xFract="0.99669787"
                           y3="0.06682"
                           yFract="0.00791706"
                           z3="8.38244"
                           zFract="0.37724752"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11342"
                           xFract="0.25040521"
                           y3="2.11136"
                           yFract="0.25016114"
                           z3="4.29191"
                           zFract="0.19315527"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96151"
                           xFract="0.2324064"
                           y3="2.07177"
                           yFract="0.24547038"
                           z3="8.45847"
                           zFract="0.38066922"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39254"
                           xFract="0.52044313"
                           y3="2.11178"
                           yFract="0.2502109"
                           z3="6.23558"
                           zFract="0.28062916"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33105"
                           xFract="0.75012441"
                           y3="8.34583"
                           yFract="0.98884242"
                           z3="6.30308"
                           zFract="0.28366697"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21061"
                           xFract="0.49888744"
                           y3="8.30673"
                           yFract="0.98420972"
                           z3="4.20122"
                           zFract="0.18907381"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27353"
                           xFract="0.50634242"
                           y3="0.00636"
                           yFract="0.00075355"
                           z3="8.45703"
                           zFract="0.38060441"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31866"
                           xFract="0.7486564"
                           y3="2.07636"
                           yFract="0.24601422"
                           z3="4.06902"
                           zFract="0.18312421"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.55733"
                           xFract="0.77693483"
                           y3="2.11879"
                           yFract="0.25104147"
                           z3="8.76494"
                           zFract="0.39446175"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41506"
                           xFract="0.99704502"
                           y3="6.43205"
                           yFract="0.76209123"
                           z3="6.37928"
                           zFract="0.28709631"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96023"
                           xFract="0.23225474"
                           y3="4.2598"
                           yFract="0.50471564"
                           z3="6.40038"
                           zFract="0.2880459"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02356"
                           xFract="0.00279147"
                           y3="4.18395"
                           yFract="0.49572867"
                           z3="4.11781"
                           zFract="0.18531998"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.1866"
                           xFract="0.022109"
                           y3="4.1654"
                           yFract="0.49353081"
                           z3="9.17391"
                           zFract="0.41286724"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20063"
                           xFract="0.26073815"
                           y3="6.33041"
                           yFract="0.75004858"
                           z3="4.27032"
                           zFract="0.19218362"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07334"
                           xFract="0.2456564"
                           y3="6.35919"
                           yFract="0.75345853"
                           z3="8.4630"
                           zFract="0.38087309"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2295"
                           xFract="0.50112559"
                           y3="6.3369"
                           yFract="0.75081754"
                           z3="6.26845"
                           zFract="0.28210846"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43942"
                           xFract="0.76296445"
                           y3="4.31902"
                           yFract="0.51173223"
                           z3="6.31543"
                           zFract="0.28422277"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19231"
                           xFract="0.49671919"
                           y3="4.37727"
                           yFract="0.51863389"
                           z3="4.27681"
                           zFract="0.1924757"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13702"
                           xFract="0.49016825"
                           y3="4.21879"
                           yFract="0.49985664"
                           z3="8.50913"
                           zFract="0.38294914"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19469"
                           xFract="0.73396801"
                           y3="6.36088"
                           yFract="0.75365877"
                           z3="4.22235"
                           zFract="0.19002475"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40526"
                           xFract="0.75891706"
                           y3="6.27404"
                           yFract="0.74336967"
                           z3="8.45938"
                           zFract="0.38071017"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.51">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.04085"
                           xFract="0.00484005"
                           y3="4.18096"
                           yFract="0.49537441"
                           z3="10.14695"
                           zFract="0.45665842"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00779"
                           xFract="-0.00092299"
                           y3="6.35458"
                           yFract="0.75291232"
                           z3="8.48845"
                           zFract="0.38201845"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33014"
                           xFract="0.75001659"
                           y3="0.01168"
                           yFract="0.00138389"
                           z3="4.23936"
                           zFract="0.19079028"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00045"
                           xFract="0.00005332"
                           y3="2.08769"
                           yFract="0.24735664"
                           z3="8.63596"
                           zFract="0.38865707"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34878"
                           xFract="0.75222512"
                           y3="6.33242"
                           yFract="0.75028673"
                           z3="6.3708"
                           zFract="0.28671467"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21184"
                           xFract="0.49903318"
                           y3="6.35157"
                           yFract="0.75255569"
                           z3="4.22275"
                           zFract="0.19004275"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42541"
                           xFract="0.99827133"
                           y3="0.02589"
                           yFract="0.00306754"
                           z3="6.38267"
                           zFract="0.28724887"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41655"
                           xFract="0.99722156"
                           y3="2.11483"
                           yFract="0.25057227"
                           z3="4.22276"
                           zFract="0.1900432"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09775"
                           xFract="0.24854858"
                           y3="4.18159"
                           yFract="0.49544905"
                           z3="8.45852"
                           zFract="0.38067147"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09261"
                           xFract="0.24793957"
                           y3="4.21259"
                           yFract="0.49912204"
                           z3="4.2491"
                           zFract="0.19122862"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07315"
                           xFract="0.24563389"
                           y3="6.34833"
                           yFract="0.7521718"
                           z3="6.36305"
                           zFract="0.28636589"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10062"
                           xFract="0.24888863"
                           y3="0.01005"
                           yFract="0.00119076"
                           z3="4.21059"
                           zFract="0.1894955"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24697"
                           xFract="0.5031955"
                           y3="0.04115"
                           yFract="0.00487559"
                           z3="6.31259"
                           zFract="0.28409496"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35067"
                           xFract="0.75244905"
                           y3="2.11788"
                           yFract="0.25093365"
                           z3="6.43318"
                           zFract="0.28952205"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.25381"
                           xFract="0.74097275"
                           y3="4.11672"
                           yFract="0.48776303"
                           z3="8.62669"
                           zFract="0.38823987"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26634"
                           xFract="0.50549052"
                           y3="2.11541"
                           yFract="0.250641"
                           z3="8.59089"
                           zFract="0.38662871"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42032"
                           xFract="0.99766825"
                           y3="6.30966"
                           yFract="0.74759005"
                           z3="4.24537"
                           zFract="0.19106076"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4043"
                           xFract="0.99577014"
                           y3="4.22169"
                           yFract="0.50020024"
                           z3="6.35856"
                           zFract="0.28616382"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22714"
                           xFract="0.50084597"
                           y3="2.11574"
                           yFract="0.25068009"
                           z3="4.19708"
                           zFract="0.18888749"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0932"
                           xFract="0.24800948"
                           y3="2.10655"
                           yFract="0.24959123"
                           z3="6.38875"
                           zFract="0.2875225"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36327"
                           xFract="0.75394194"
                           y3="4.2026"
                           yFract="0.49793839"
                           z3="4.25006"
                           zFract="0.19127183"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25007"
                           xFract="0.5035628"
                           y3="6.32514"
                           yFract="0.74942417"
                           z3="8.48253"
                           zFract="0.38175203"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27537"
                           xFract="0.50656043"
                           y3="4.18117"
                           yFract="0.49539929"
                           z3="6.39458"
                           zFract="0.28778488"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1322"
                           xFract="0.25263033"
                           y3="0.02174"
                           yFract="0.00257583"
                           z3="8.43796"
                           zFract="0.37974617"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3360"
                           xFract="0.7507109"
                           y3="0.0407"
                           yFract="0.00482227"
                           z3="8.50338"
                           zFract="0.38269037"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30156"
                           xFract="0.98359716"
                           y3="2.03389"
                           yFract="0.24098223"
                           z3="6.26496"
                           zFract="0.2819514"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14122"
                           xFract="0.25369905"
                           y3="8.42556"
                           yFract="0.9982891"
                           z3="6.28692"
                           zFract="0.28293969"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00671"
                           xFract="0.00079502"
                           y3="0.01977"
                           yFract="0.00234242"
                           z3="4.24723"
                           zFract="0.19114446"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.40362"
                           xFract="0.99568957"
                           y3="0.07611"
                           yFract="0.00901777"
                           z3="8.37882"
                           zFract="0.37708461"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11944"
                           xFract="0.25111848"
                           y3="2.10913"
                           yFract="0.24989692"
                           z3="4.29694"
                           zFract="0.19338164"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94982"
                           xFract="0.23102133"
                           y3="2.06336"
                           yFract="0.24447393"
                           z3="8.46103"
                           zFract="0.38078443"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39347"
                           xFract="0.52055332"
                           y3="2.1119"
                           yFract="0.25022512"
                           z3="6.24354"
                           zFract="0.2809874"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32766"
                           xFract="0.74972275"
                           y3="8.34698"
                           yFract="0.98897867"
                           z3="6.30287"
                           zFract="0.28365752"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20785"
                           xFract="0.49856043"
                           y3="8.30192"
                           yFract="0.98363981"
                           z3="4.20477"
                           zFract="0.18923357"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27603"
                           xFract="0.50663863"
                           y3="0.00849"
                           yFract="0.00100592"
                           z3="8.45797"
                           zFract="0.38064671"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3105"
                           xFract="0.74768957"
                           y3="2.07685"
                           yFract="0.24607227"
                           z3="4.06761"
                           zFract="0.18306076"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.57549"
                           xFract="0.77908649"
                           y3="2.12193"
                           yFract="0.25141351"
                           z3="8.77878"
                           zFract="0.39508461"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41562"
                           xFract="0.99711137"
                           y3="6.43426"
                           yFract="0.76235308"
                           z3="6.38363"
                           zFract="0.28729208"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96002"
                           xFract="0.23222986"
                           y3="4.25977"
                           yFract="0.50471209"
                           z3="6.4024"
                           zFract="0.28813681"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02337"
                           xFract="0.00276896"
                           y3="4.18063"
                           yFract="0.49533531"
                           z3="4.11817"
                           zFract="0.18533618"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.19316"
                           xFract="0.02288626"
                           y3="4.15651"
                           yFract="0.49247749"
                           z3="9.17916"
                           zFract="0.41310351"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19724"
                           xFract="0.26033649"
                           y3="6.33197"
                           yFract="0.75023341"
                           z3="4.27076"
                           zFract="0.19220342"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07916"
                           xFract="0.24634597"
                           y3="6.36441"
                           yFract="0.75407701"
                           z3="8.46658"
                           zFract="0.3810342"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22772"
                           xFract="0.50091469"
                           y3="6.33358"
                           yFract="0.75042417"
                           z3="6.27097"
                           zFract="0.28222187"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44455"
                           xFract="0.76357227"
                           y3="4.31375"
                           yFract="0.51110782"
                           z3="6.31449"
                           zFract="0.28418047"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19298"
                           xFract="0.49679858"
                           y3="4.38085"
                           yFract="0.51905806"
                           z3="4.27856"
                           zFract="0.19255446"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13813"
                           xFract="0.49029976"
                           y3="4.21303"
                           yFract="0.49917417"
                           z3="8.51642"
                           zFract="0.38327723"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19734"
                           xFract="0.73428199"
                           y3="6.35974"
                           yFract="0.7535237"
                           z3="4.22365"
                           zFract="0.19008326"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40649"
                           xFract="0.7590628"
                           y3="6.26926"
                           yFract="0.74280332"
                           z3="8.46341"
                           zFract="0.38089154"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.52">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.03378"
                           xFract="0.00400237"
                           y3="4.18026"
                           yFract="0.49529147"
                           z3="10.1447"
                           zFract="0.45655716"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00865"
                           xFract="-0.00102488"
                           y3="6.35203"
                           yFract="0.75261019"
                           z3="8.48913"
                           zFract="0.38204905"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3327"
                           xFract="0.75031991"
                           y3="0.01257"
                           yFract="0.00148934"
                           z3="4.23967"
                           zFract="0.19080423"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00066"
                           xFract="0.0000782"
                           y3="2.08475"
                           yFract="0.24700829"
                           z3="8.62134"
                           zFract="0.3879991"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34763"
                           xFract="0.75208886"
                           y3="6.33316"
                           yFract="0.75037441"
                           z3="6.36819"
                           zFract="0.28659721"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21117"
                           xFract="0.49895379"
                           y3="6.3504"
                           yFract="0.75241706"
                           z3="4.22138"
                           zFract="0.1899811"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42701"
                           xFract="0.9984609"
                           y3="0.02574"
                           yFract="0.00304976"
                           z3="6.37804"
                           zFract="0.2870405"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41766"
                           xFract="0.99735308"
                           y3="2.11328"
                           yFract="0.25038863"
                           z3="4.22303"
                           zFract="0.19005536"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10016"
                           xFract="0.24883412"
                           y3="4.18385"
                           yFract="0.49571682"
                           z3="8.45692"
                           zFract="0.38059946"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09237"
                           xFract="0.24791114"
                           y3="4.2126"
                           yFract="0.49912322"
                           z3="4.24791"
                           zFract="0.19117507"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0738"
                           xFract="0.2457109"
                           y3="6.34779"
                           yFract="0.75210782"
                           z3="6.36105"
                           zFract="0.28627588"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09924"
                           xFract="0.24872512"
                           y3="0.00991"
                           yFract="0.00117417"
                           z3="4.21066"
                           zFract="0.18949865"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24836"
                           xFract="0.50336019"
                           y3="0.0409"
                           yFract="0.00484597"
                           z3="6.31141"
                           zFract="0.28404185"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35098"
                           xFract="0.75248578"
                           y3="2.11865"
                           yFract="0.25102488"
                           z3="6.43202"
                           zFract="0.28946985"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.25108"
                           xFract="0.74064929"
                           y3="4.1156"
                           yFract="0.48763033"
                           z3="8.62578"
                           zFract="0.38819892"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26299"
                           xFract="0.5050936"
                           y3="2.11561"
                           yFract="0.25066469"
                           z3="8.59008"
                           zFract="0.38659226"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42086"
                           xFract="0.99773223"
                           y3="6.31148"
                           yFract="0.74780569"
                           z3="4.24542"
                           zFract="0.19106301"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40413"
                           xFract="0.99575"
                           y3="4.22396"
                           yFract="0.50046919"
                           z3="6.35902"
                           zFract="0.28618452"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22729"
                           xFract="0.50086374"
                           y3="2.11514"
                           yFract="0.250609"
                           z3="4.1948"
                           zFract="0.18878488"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.09739"
                           xFract="0.24850592"
                           y3="2.10683"
                           yFract="0.24962441"
                           z3="6.38513"
                           zFract="0.28735959"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36234"
                           xFract="0.75383175"
                           y3="4.20265"
                           yFract="0.49794431"
                           z3="4.24964"
                           zFract="0.19125293"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25005"
                           xFract="0.50356043"
                           y3="6.3255"
                           yFract="0.74946682"
                           z3="8.48045"
                           zFract="0.38165842"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27348"
                           xFract="0.50633649"
                           y3="4.17978"
                           yFract="0.4952346"
                           z3="6.39478"
                           zFract="0.28779388"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13223"
                           xFract="0.25263389"
                           y3="0.01973"
                           yFract="0.00233768"
                           z3="8.43492"
                           zFract="0.37960936"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33682"
                           xFract="0.75080806"
                           y3="0.0384"
                           yFract="0.00454976"
                           z3="8.50203"
                           zFract="0.38262961"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30322"
                           xFract="0.98379384"
                           y3="2.0377"
                           yFract="0.24143365"
                           z3="6.27525"
                           zFract="0.28241449"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14286"
                           xFract="0.25389336"
                           y3="8.42488"
                           yFract="0.99820853"
                           z3="6.28727"
                           zFract="0.28295545"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00543"
                           xFract="0.00064336"
                           y3="0.01836"
                           yFract="0.00217536"
                           z3="4.24961"
                           zFract="0.19125158"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.40782"
                           xFract="0.9961872"
                           y3="0.07153"
                           yFract="0.00847512"
                           z3="8.38061"
                           zFract="0.37716517"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11647"
                           xFract="0.25076659"
                           y3="2.11023"
                           yFract="0.25002725"
                           z3="4.29446"
                           zFract="0.19327003"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.95559"
                           xFract="0.23170498"
                           y3="2.06751"
                           yFract="0.24496564"
                           z3="8.45977"
                           zFract="0.38072772"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39301"
                           xFract="0.52049882"
                           y3="2.11184"
                           yFract="0.25021801"
                           z3="6.23961"
                           zFract="0.28081053"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32933"
                           xFract="0.74992062"
                           y3="8.34641"
                           yFract="0.98891114"
                           z3="6.30297"
                           zFract="0.28366202"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20921"
                           xFract="0.49872156"
                           y3="8.30429"
                           yFract="0.98392062"
                           z3="4.20302"
                           zFract="0.18915482"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27479"
                           xFract="0.50649171"
                           y3="0.00744"
                           yFract="0.00088152"
                           z3="8.45751"
                           zFract="0.38062601"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31452"
                           xFract="0.74816588"
                           y3="2.07661"
                           yFract="0.24604384"
                           z3="4.06831"
                           zFract="0.18309226"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.56653"
                           xFract="0.77802488"
                           y3="2.12038"
                           yFract="0.25122986"
                           z3="8.77195"
                           zFract="0.39477723"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41534"
                           xFract="0.9970782"
                           y3="6.43317"
                           yFract="0.76222393"
                           z3="6.38149"
                           zFract="0.28719577"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96012"
                           xFract="0.23224171"
                           y3="4.25978"
                           yFract="0.50471327"
                           z3="6.4014"
                           zFract="0.28809181"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02347"
                           xFract="0.00278081"
                           y3="4.18227"
                           yFract="0.49552962"
                           z3="4.11799"
                           zFract="0.18532808"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.18992"
                           xFract="0.02250237"
                           y3="4.16089"
                           yFract="0.49299645"
                           z3="9.17657"
                           zFract="0.41298695"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19891"
                           xFract="0.26053436"
                           y3="6.3312"
                           yFract="0.75014218"
                           z3="4.27054"
                           zFract="0.19219352"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07629"
                           xFract="0.24600592"
                           y3="6.36184"
                           yFract="0.75377251"
                           z3="8.46481"
                           zFract="0.38095455"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2286"
                           xFract="0.50101896"
                           y3="6.33522"
                           yFract="0.75061848"
                           z3="6.26973"
                           zFract="0.28216607"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44202"
                           xFract="0.76327251"
                           y3="4.31635"
                           yFract="0.51141588"
                           z3="6.31495"
                           zFract="0.28420117"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19265"
                           xFract="0.49675948"
                           y3="4.37908"
                           yFract="0.51884834"
                           z3="4.27769"
                           zFract="0.1925153"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13758"
                           xFract="0.4902346"
                           y3="4.21587"
                           yFract="0.49951066"
                           z3="8.51282"
                           zFract="0.38311521"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19603"
                           xFract="0.73412678"
                           y3="6.36031"
                           yFract="0.75359123"
                           z3="4.22301"
                           zFract="0.19005446"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40588"
                           xFract="0.75899052"
                           y3="6.27162"
                           yFract="0.74308294"
                           z3="8.46142"
                           zFract="0.38080198"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.53">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.03836"
                           xFract="0.00454502"
                           y3="4.18052"
                           yFract="0.49532227"
                           z3="10.14418"
                           zFract="0.45653375"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00815"
                           xFract="-0.00096564"
                           y3="6.35382"
                           yFract="0.75282227"
                           z3="8.48859"
                           zFract="0.38202475"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33245"
                           xFract="0.75029028"
                           y3="0.01233"
                           yFract="0.0014609"
                           z3="4.24006"
                           zFract="0.19082178"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00352"
                           xFract="0.00041706"
                           y3="2.08559"
                           yFract="0.24710782"
                           z3="8.63155"
                           zFract="0.3884586"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34809"
                           xFract="0.75214336"
                           y3="6.33283"
                           yFract="0.75033531"
                           z3="6.36925"
                           zFract="0.28664491"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.21037"
                           xFract="0.498859"
                           y3="6.34858"
                           yFract="0.75220142"
                           z3="4.22217"
                           zFract="0.19001665"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42616"
                           xFract="0.99836019"
                           y3="0.02678"
                           yFract="0.00317299"
                           z3="6.37713"
                           zFract="0.28699955"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41716"
                           xFract="0.99729384"
                           y3="2.11289"
                           yFract="0.25034242"
                           z3="4.2225"
                           zFract="0.1900315"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10081"
                           xFract="0.24891114"
                           y3="4.18246"
                           yFract="0.49555213"
                           z3="8.4572"
                           zFract="0.38061206"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09274"
                           xFract="0.24795498"
                           y3="4.21263"
                           yFract="0.49912678"
                           z3="4.24874"
                           zFract="0.19121242"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07359"
                           xFract="0.24568602"
                           y3="6.34816"
                           yFract="0.75215166"
                           z3="6.36196"
                           zFract="0.28631683"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09889"
                           xFract="0.24868365"
                           y3="0.00995"
                           yFract="0.00117891"
                           z3="4.21096"
                           zFract="0.18951215"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24749"
                           xFract="0.50325711"
                           y3="0.0409"
                           yFract="0.00484597"
                           z3="6.31255"
                           zFract="0.28409316"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35192"
                           xFract="0.75259716"
                           y3="2.11795"
                           yFract="0.25094194"
                           z3="6.43248"
                           zFract="0.28949055"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2529"
                           xFract="0.74086493"
                           y3="4.11616"
                           yFract="0.48769668"
                           z3="8.62636"
                           zFract="0.38822502"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2649"
                           xFract="0.50531991"
                           y3="2.11583"
                           yFract="0.25069076"
                           z3="8.59027"
                           zFract="0.38660081"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42073"
                           xFract="0.99771682"
                           y3="6.31129"
                           yFract="0.74778318"
                           z3="4.24577"
                           zFract="0.19107876"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40505"
                           xFract="0.995859"
                           y3="4.22193"
                           yFract="0.50022867"
                           z3="6.3591"
                           zFract="0.28618812"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22716"
                           xFract="0.50084834"
                           y3="2.11562"
                           yFract="0.25066588"
                           z3="4.19615"
                           zFract="0.18884563"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.09419"
                           xFract="0.24812678"
                           y3="2.10639"
                           yFract="0.24957227"
                           z3="6.38693"
                           zFract="0.28744059"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3625"
                           xFract="0.75385071"
                           y3="4.2027"
                           yFract="0.49795024"
                           z3="4.24972"
                           zFract="0.19125653"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25019"
                           xFract="0.50357701"
                           y3="6.32515"
                           yFract="0.74942536"
                           z3="8.48164"
                           zFract="0.38171197"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27418"
                           xFract="0.50641943"
                           y3="4.18042"
                           yFract="0.49531043"
                           z3="6.39532"
                           zFract="0.28781818"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1323"
                           xFract="0.25264218"
                           y3="0.02041"
                           yFract="0.00241825"
                           z3="8.43614"
                           zFract="0.37966427"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3360"
                           xFract="0.7507109"
                           y3="0.03968"
                           yFract="0.00470142"
                           z3="8.50263"
                           zFract="0.38265662"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.30169"
                           xFract="0.98361256"
                           y3="2.0354"
                           yFract="0.24116114"
                           z3="6.26898"
                           zFract="0.28213231"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14244"
                           xFract="0.2538436"
                           y3="8.42501"
                           yFract="0.99822393"
                           z3="6.28811"
                           zFract="0.28299325"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00524"
                           xFract="0.00062085"
                           y3="0.01831"
                           yFract="0.00216943"
                           z3="4.24856"
                           zFract="0.19120432"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.4053"
                           xFract="0.99588863"
                           y3="0.07508"
                           yFract="0.00889573"
                           z3="8.38087"
                           zFract="0.37717687"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11889"
                           xFract="0.25105332"
                           y3="2.11036"
                           yFract="0.25004265"
                           z3="4.2956"
                           zFract="0.19332133"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.95091"
                           xFract="0.23115047"
                           y3="2.0661"
                           yFract="0.24479858"
                           z3="8.46101"
                           zFract="0.38078353"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39288"
                           xFract="0.52048341"
                           y3="2.11201"
                           yFract="0.25023815"
                           z3="6.24182"
                           zFract="0.28090999"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32826"
                           xFract="0.74979384"
                           y3="8.34663"
                           yFract="0.9889372"
                           z3="6.30303"
                           zFract="0.28366472"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20888"
                           xFract="0.49868246"
                           y3="8.3037"
                           yFract="0.98385071"
                           z3="4.20378"
                           zFract="0.18918902"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27587"
                           xFract="0.50661967"
                           y3="0.00805"
                           yFract="0.00095379"
                           z3="8.45796"
                           zFract="0.38064626"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31157"
                           xFract="0.74781635"
                           y3="2.07654"
                           yFract="0.24603555"
                           z3="4.06772"
                           zFract="0.18306571"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.57073"
                           xFract="0.77852251"
                           y3="2.1221"
                           yFract="0.25143365"
                           z3="8.7767"
                           zFract="0.394991"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41529"
                           xFract="0.99707227"
                           y3="6.43401"
                           yFract="0.76232346"
                           z3="6.38328"
                           zFract="0.28727633"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95999"
                           xFract="0.2322263"
                           y3="4.25976"
                           yFract="0.5047109"
                           z3="6.40224"
                           zFract="0.28812961"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02365"
                           xFract="0.00280213"
                           y3="4.18184"
                           yFract="0.49547867"
                           z3="4.11757"
                           zFract="0.18530918"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.19077"
                           xFract="0.02260308"
                           y3="4.15773"
                           yFract="0.49262204"
                           z3="9.18102"
                           zFract="0.41318722"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19831"
                           xFract="0.26046327"
                           y3="6.33137"
                           yFract="0.75016232"
                           z3="4.27076"
                           zFract="0.19220342"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07759"
                           xFract="0.24615995"
                           y3="6.36332"
                           yFract="0.75394787"
                           z3="8.46611"
                           zFract="0.38101305"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2284"
                           xFract="0.50099526"
                           y3="6.33483"
                           yFract="0.75057227"
                           z3="6.27071"
                           zFract="0.28221017"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44258"
                           xFract="0.76333886"
                           y3="4.31489"
                           yFract="0.51124289"
                           z3="6.31526"
                           zFract="0.28421512"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19304"
                           xFract="0.49680569"
                           y3="4.38066"
                           yFract="0.51903555"
                           z3="4.27804"
                           zFract="0.19253105"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13771"
                           xFract="0.49025"
                           y3="4.21427"
                           yFract="0.49932109"
                           z3="8.51453"
                           zFract="0.38319217"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19708"
                           xFract="0.73425118"
                           y3="6.3602"
                           yFract="0.7535782"
                           z3="4.22341"
                           zFract="0.19007246"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4058"
                           xFract="0.75898104"
                           y3="6.26985"
                           yFract="0.74287322"
                           z3="8.46269"
                           zFract="0.38085914"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.54">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.05208"
                           xFract="0.00617062"
                           y3="4.18132"
                           yFract="0.49541706"
                           z3="10.1426"
                           zFract="0.45646265"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00665"
                           xFract="-0.00078791"
                           y3="6.35919"
                           yFract="0.75345853"
                           z3="8.48696"
                           zFract="0.3819514"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33171"
                           xFract="0.75020261"
                           y3="0.0116"
                           yFract="0.00137441"
                           z3="4.24124"
                           zFract="0.19087489"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01208"
                           xFract="0.00143128"
                           y3="2.0881"
                           yFract="0.24740521"
                           z3="8.66218"
                           zFract="0.38983708"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34948"
                           xFract="0.75230806"
                           y3="6.33184"
                           yFract="0.75021801"
                           z3="6.37246"
                           zFract="0.28678938"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20796"
                           xFract="0.49857346"
                           y3="6.34312"
                           yFract="0.7515545"
                           z3="4.22453"
                           zFract="0.19012286"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4236"
                           xFract="0.99805687"
                           y3="0.02992"
                           yFract="0.00354502"
                           z3="6.3744"
                           zFract="0.28687669"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41564"
                           xFract="0.99711374"
                           y3="2.11172"
                           yFract="0.25020379"
                           z3="4.22091"
                           zFract="0.18995995"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10275"
                           xFract="0.249141"
                           y3="4.17827"
                           yFract="0.49505569"
                           z3="8.45805"
                           zFract="0.38065032"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09383"
                           xFract="0.24808412"
                           y3="4.21272"
                           yFract="0.49913744"
                           z3="4.25125"
                           zFract="0.19132538"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07295"
                           xFract="0.24561019"
                           y3="6.34926"
                           yFract="0.75228199"
                           z3="6.36469"
                           zFract="0.28643969"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09786"
                           xFract="0.24856161"
                           y3="0.01008"
                           yFract="0.00119431"
                           z3="4.21185"
                           zFract="0.18955221"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24488"
                           xFract="0.50294787"
                           y3="0.04091"
                           yFract="0.00484716"
                           z3="6.31595"
                           zFract="0.28424617"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35475"
                           xFract="0.75293246"
                           y3="2.11583"
                           yFract="0.25069076"
                           z3="6.43386"
                           zFract="0.28955266"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.25836"
                           xFract="0.74151185"
                           y3="4.11783"
                           yFract="0.48789455"
                           z3="8.6281"
                           zFract="0.38830333"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27061"
                           xFract="0.50599645"
                           y3="2.11648"
                           yFract="0.25076777"
                           z3="8.59083"
                           zFract="0.38662601"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42035"
                           xFract="0.9976718"
                           y3="6.31074"
                           yFract="0.74771801"
                           z3="4.24682"
                           zFract="0.19112601"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40782"
                           xFract="0.9961872"
                           y3="4.21584"
                           yFract="0.49950711"
                           z3="6.35935"
                           zFract="0.28619937"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22678"
                           xFract="0.50080332"
                           y3="2.11708"
                           yFract="0.25083886"
                           z3="4.20021"
                           zFract="0.18902835"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.08457"
                           xFract="0.24698697"
                           y3="2.10506"
                           yFract="0.24941469"
                           z3="6.39234"
                           zFract="0.28768407"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36295"
                           xFract="0.75390403"
                           y3="4.20284"
                           yFract="0.49796682"
                           z3="4.24995"
                           zFract="0.19126688"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25059"
                           xFract="0.50362441"
                           y3="6.3241"
                           yFract="0.74930095"
                           z3="8.48522"
                           zFract="0.38187309"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27627"
                           xFract="0.50666706"
                           y3="4.18232"
                           yFract="0.49553555"
                           z3="6.39694"
                           zFract="0.28789109"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13251"
                           xFract="0.25266706"
                           y3="0.02246"
                           yFract="0.00266114"
                           z3="8.4398"
                           zFract="0.37982898"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33353"
                           xFract="0.75041825"
                           y3="0.04353"
                           yFract="0.00515758"
                           z3="8.50445"
                           zFract="0.38273852"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2971"
                           xFract="0.98306872"
                           y3="2.02848"
                           yFract="0.24034123"
                           z3="6.25016"
                           zFract="0.28128533"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14117"
                           xFract="0.25369313"
                           y3="8.42541"
                           yFract="0.99827133"
                           z3="6.29063"
                           zFract="0.28310666"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00467"
                           xFract="0.00055332"
                           y3="0.01815"
                           yFract="0.00215047"
                           z3="4.24539"
                           zFract="0.19106166"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39776"
                           xFract="0.99499526"
                           y3="0.08571"
                           yFract="0.01015521"
                           z3="8.38168"
                           zFract="0.37721332"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12616"
                           xFract="0.25191469"
                           y3="2.11075"
                           yFract="0.25008886"
                           z3="4.29904"
                           zFract="0.19347615"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93686"
                           xFract="0.22948578"
                           y3="2.06189"
                           yFract="0.24429976"
                           z3="8.46475"
                           zFract="0.38095185"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39249"
                           xFract="0.5204372"
                           y3="2.1125"
                           yFract="0.25029621"
                           z3="6.24845"
                           zFract="0.28120837"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32506"
                           xFract="0.74941469"
                           y3="8.34726"
                           yFract="0.98901185"
                           z3="6.30319"
                           zFract="0.28367192"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20787"
                           xFract="0.4985628"
                           y3="8.30193"
                           yFract="0.983641"
                           z3="4.20605"
                           zFract="0.18929118"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27909"
                           xFract="0.50700118"
                           y3="0.00988"
                           yFract="0.00117062"
                           z3="8.45933"
                           zFract="0.38070792"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30272"
                           xFract="0.74676777"
                           y3="2.07635"
                           yFract="0.24601303"
                           z3="4.06595"
                           zFract="0.18298605"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.58333"
                           xFract="0.7800154"
                           y3="2.12725"
                           yFract="0.25204384"
                           z3="8.79094"
                           zFract="0.39563186"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41512"
                           xFract="0.99705213"
                           y3="6.43655"
                           yFract="0.76262441"
                           z3="6.38865"
                           zFract="0.287518"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9596"
                           xFract="0.23218009"
                           y3="4.25967"
                           yFract="0.50470024"
                           z3="6.40475"
                           zFract="0.28824257"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02421"
                           xFract="0.00286848"
                           y3="4.18054"
                           yFract="0.49532464"
                           z3="4.11631"
                           zFract="0.18525248"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.19329"
                           xFract="0.02290166"
                           y3="4.14824"
                           yFract="0.49149763"
                           z3="9.19435"
                           zFract="0.41378713"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1965"
                           xFract="0.26024882"
                           y3="6.33189"
                           yFract="0.75022393"
                           z3="4.27139"
                           zFract="0.19223177"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08148"
                           xFract="0.24662085"
                           y3="6.36777"
                           yFract="0.75447512"
                           z3="8.47001"
                           zFract="0.38118857"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2278"
                           xFract="0.50092417"
                           y3="6.33366"
                           yFract="0.75043365"
                           z3="6.27368"
                           zFract="0.28234383"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44425"
                           xFract="0.76353673"
                           y3="4.3105"
                           yFract="0.51072275"
                           z3="6.31617"
                           zFract="0.28425608"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1942"
                           xFract="0.49694313"
                           y3="4.38539"
                           yFract="0.51959597"
                           z3="4.27908"
                           zFract="0.19257786"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13811"
                           xFract="0.49029739"
                           y3="4.20947"
                           yFract="0.49875237"
                           z3="8.51964"
                           zFract="0.38342214"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20021"
                           xFract="0.73462204"
                           y3="6.35987"
                           yFract="0.7535391"
                           z3="4.22459"
                           zFract="0.19012556"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40557"
                           xFract="0.75895379"
                           y3="6.26455"
                           yFract="0.74224526"
                           z3="8.46649"
                           zFract="0.38103015"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.55">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.05494"
                           xFract="0.00650948"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="10.14526"
                           zFract="0.45658236"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00634"
                           xFract="-0.00075118"
                           y3="6.36056"
                           yFract="0.75362085"
                           z3="8.48661"
                           zFract="0.38193564"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33186"
                           xFract="0.75022038"
                           y3="0.01151"
                           yFract="0.00136374"
                           z3="4.24168"
                           zFract="0.19089469"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01474"
                           xFract="0.00174645"
                           y3="2.08823"
                           yFract="0.24742062"
                           z3="8.67029"
                           zFract="0.39020207"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3497"
                           xFract="0.75233412"
                           y3="6.33161"
                           yFract="0.75019076"
                           z3="6.37303"
                           zFract="0.28681503"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2072"
                           xFract="0.49848341"
                           y3="6.3416"
                           yFract="0.75137441"
                           z3="4.22503"
                           zFract="0.19014536"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42299"
                           xFract="0.9979846"
                           y3="0.03092"
                           yFract="0.00366351"
                           z3="6.37263"
                           zFract="0.28679703"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41533"
                           xFract="0.99707701"
                           y3="2.11103"
                           yFract="0.25012204"
                           z3="4.22015"
                           zFract="0.18992574"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10387"
                           xFract="0.2492737"
                           y3="4.17732"
                           yFract="0.49494313"
                           z3="8.45807"
                           zFract="0.38065122"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09412"
                           xFract="0.24811848"
                           y3="4.21273"
                           yFract="0.49913863"
                           z3="4.25185"
                           zFract="0.19135239"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07285"
                           xFract="0.24559834"
                           y3="6.34953"
                           yFract="0.75231398"
                           z3="6.36523"
                           zFract="0.286464"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09731"
                           xFract="0.24849645"
                           y3="0.0101"
                           yFract="0.00119668"
                           z3="4.21218"
                           zFract="0.18956706"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24428"
                           xFract="0.50287678"
                           y3="0.04087"
                           yFract="0.00484242"
                           z3="6.31681"
                           zFract="0.28428488"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35562"
                           xFract="0.75303555"
                           y3="2.11525"
                           yFract="0.25062204"
                           z3="6.4341"
                           zFract="0.28956346"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.25983"
                           xFract="0.74168602"
                           y3="4.11816"
                           yFract="0.48793365"
                           z3="8.62857"
                           zFract="0.38832448"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27201"
                           xFract="0.50616232"
                           y3="2.11677"
                           yFract="0.25080213"
                           z3="8.59083"
                           zFract="0.38662601"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42032"
                           xFract="0.99766825"
                           y3="6.31091"
                           yFract="0.74773815"
                           z3="4.24724"
                           zFract="0.19114491"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40862"
                           xFract="0.99628199"
                           y3="4.21411"
                           yFract="0.49930213"
                           z3="6.35953"
                           zFract="0.28620747"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22666"
                           xFract="0.5007891"
                           y3="2.11741"
                           yFract="0.25087796"
                           z3="4.20118"
                           zFract="0.18907201"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.08196"
                           xFract="0.24667773"
                           y3="2.10464"
                           yFract="0.24936493"
                           z3="6.39345"
                           zFract="0.28773402"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36297"
                           xFract="0.7539064"
                           y3="4.20291"
                           yFract="0.49797512"
                           z3="4.24998"
                           zFract="0.19126823"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25077"
                           xFract="0.50364573"
                           y3="6.32375"
                           yFract="0.74925948"
                           z3="8.48606"
                           zFract="0.38191089"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27665"
                           xFract="0.50671209"
                           y3="4.18263"
                           yFract="0.49557227"
                           z3="6.39763"
                           zFract="0.28792214"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13258"
                           xFract="0.25267536"
                           y3="0.02267"
                           yFract="0.00268602"
                           z3="8.44044"
                           zFract="0.37985779"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3329"
                           xFract="0.7503436"
                           y3="0.04451"
                           yFract="0.0052737"
                           z3="8.5048"
                           zFract="0.38275428"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.29589"
                           xFract="0.98292536"
                           y3="2.02688"
                           yFract="0.24015166"
                           z3="6.24569"
                           zFract="0.28108416"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14104"
                           xFract="0.25367773"
                           y3="8.42536"
                           yFract="0.9982654"
                           z3="6.29163"
                           zFract="0.28315167"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00423"
                           xFract="0.00050118"
                           y3="0.01771"
                           yFract="0.00209834"
                           z3="4.24477"
                           zFract="0.19103375"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39607"
                           xFract="0.99479502"
                           y3="0.08872"
                           yFract="0.01051185"
                           z3="8.38231"
                           zFract="0.37724167"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12808"
                           xFract="0.25214218"
                           y3="2.11113"
                           yFract="0.25013389"
                           z3="4.2997"
                           zFract="0.19350585"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93333"
                           xFract="0.22906754"
                           y3="2.06136"
                           yFract="0.24423697"
                           z3="8.46595"
                           zFract="0.38100585"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39231"
                           xFract="0.52041588"
                           y3="2.11272"
                           yFract="0.25032227"
                           z3="6.25007"
                           zFract="0.28128128"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32434"
                           xFract="0.74932938"
                           y3="8.34736"
                           yFract="0.9890237"
                           z3="6.30331"
                           zFract="0.28367732"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20779"
                           xFract="0.49855332"
                           y3="8.30159"
                           yFract="0.98360071"
                           z3="4.20649"
                           zFract="0.18931098"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27993"
                           xFract="0.50710071"
                           y3="0.01041"
                           yFract="0.00123341"
                           z3="8.45978"
                           zFract="0.38072817"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30042"
                           xFract="0.74649526"
                           y3="2.07624"
                           yFract="0.2460"
                           z3="4.06544"
                           zFract="0.1829631"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.58604"
                           xFract="0.78033649"
                           y3="2.12885"
                           yFract="0.25223341"
                           z3="8.79464"
                           zFract="0.39579838"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41502"
                           xFract="0.99704028"
                           y3="6.43729"
                           yFract="0.76271209"
                           z3="6.39008"
                           zFract="0.28758236"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95955"
                           xFract="0.23217417"
                           y3="4.25967"
                           yFract="0.50470024"
                           z3="6.40551"
                           zFract="0.28827678"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02443"
                           xFract="0.00289455"
                           y3="4.18044"
                           yFract="0.4953128"
                           z3="4.11589"
                           zFract="0.18523357"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.19436"
                           xFract="0.02302844"
                           y3="4.14551"
                           yFract="0.49117417"
                           z3="9.19485"
                           zFract="0.41380963"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19614"
                           xFract="0.26020616"
                           y3="6.33183"
                           yFract="0.75021682"
                           z3="4.27166"
                           zFract="0.19224392"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0822"
                           xFract="0.24670616"
                           y3="6.36877"
                           yFract="0.7545936"
                           z3="8.47104"
                           zFract="0.38123492"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22776"
                           xFract="0.50091943"
                           y3="6.33355"
                           yFract="0.75042062"
                           z3="6.27453"
                           zFract="0.28238209"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44438"
                           xFract="0.76355213"
                           y3="4.30948"
                           yFract="0.5106019"
                           z3="6.31661"
                           zFract="0.28427588"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19448"
                           xFract="0.4969763"
                           y3="4.3865"
                           yFract="0.51972749"
                           z3="4.2793"
                           zFract="0.19258776"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13808"
                           xFract="0.49029384"
                           y3="4.20833"
                           yFract="0.4986173"
                           z3="8.52067"
                           zFract="0.3834685"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20098"
                           xFract="0.73471327"
                           y3="6.35982"
                           yFract="0.75353318"
                           z3="4.22491"
                           zFract="0.19013996"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40535"
                           xFract="0.75892773"
                           y3="6.26318"
                           yFract="0.74208294"
                           z3="8.46742"
                           zFract="0.38107201"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.56">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.06353"
                           xFract="0.00752725"
                           y3="4.18224"
                           yFract="0.49552607"
                           z3="10.15324"
                           zFract="0.45694149"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00542"
                           xFract="-0.00064218"
                           y3="6.36465"
                           yFract="0.75410545"
                           z3="8.48556"
                           zFract="0.38188839"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3323"
                           xFract="0.75027251"
                           y3="0.01122"
                           yFract="0.00132938"
                           z3="4.24298"
                           zFract="0.1909532"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02274"
                           xFract="0.00269431"
                           y3="2.08862"
                           yFract="0.24746682"
                           z3="8.6946"
                           zFract="0.39129613"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35036"
                           xFract="0.75241232"
                           y3="6.33091"
                           yFract="0.75010782"
                           z3="6.37475"
                           zFract="0.28689244"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20492"
                           xFract="0.49821327"
                           y3="6.33705"
                           yFract="0.75083531"
                           z3="4.22654"
                           zFract="0.19021332"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42118"
                           xFract="0.99777014"
                           y3="0.03394"
                           yFract="0.00402133"
                           z3="6.3673"
                           zFract="0.28655716"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41442"
                           xFract="0.99696919"
                           y3="2.10897"
                           yFract="0.24987796"
                           z3="4.21785"
                           zFract="0.18982223"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10722"
                           xFract="0.24967062"
                           y3="4.17447"
                           yFract="0.49460545"
                           z3="8.45813"
                           zFract="0.38065392"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09499"
                           xFract="0.24822156"
                           y3="4.21276"
                           yFract="0.49914218"
                           z3="4.25366"
                           zFract="0.19143384"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07254"
                           xFract="0.24556161"
                           y3="6.35033"
                           yFract="0.75240877"
                           z3="6.36687"
                           zFract="0.2865378"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09565"
                           xFract="0.24829976"
                           y3="0.01015"
                           yFract="0.00120261"
                           z3="4.21318"
                           zFract="0.18961206"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24247"
                           xFract="0.50266232"
                           y3="0.04076"
                           yFract="0.00482938"
                           z3="6.31937"
                           zFract="0.28440009"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35825"
                           xFract="0.75334716"
                           y3="2.11352"
                           yFract="0.25041706"
                           z3="6.4348"
                           zFract="0.28959496"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.26422"
                           xFract="0.74220616"
                           y3="4.11915"
                           yFract="0.48805095"
                           z3="8.62998"
                           zFract="0.38838794"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27622"
                           xFract="0.50666114"
                           y3="2.11762"
                           yFract="0.25090284"
                           z3="8.59082"
                           zFract="0.38662556"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42023"
                           xFract="0.99765758"
                           y3="6.31143"
                           yFract="0.74779976"
                           z3="4.24851"
                           zFract="0.19120207"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41101"
                           xFract="0.99656517"
                           y3="4.20891"
                           yFract="0.49868602"
                           z3="6.36008"
                           zFract="0.28623222"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2263"
                           xFract="0.50074645"
                           y3="2.11841"
                           yFract="0.25099645"
                           z3="4.20412"
                           zFract="0.18920432"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.07412"
                           xFract="0.24574882"
                           y3="2.10337"
                           yFract="0.24921445"
                           z3="6.39676"
                           zFract="0.28788299"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3630"
                           xFract="0.75390995"
                           y3="4.20314"
                           yFract="0.49800237"
                           z3="4.25004"
                           zFract="0.19127093"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25133"
                           xFract="0.50371209"
                           y3="6.32269"
                           yFract="0.74913389"
                           z3="8.48858"
                           zFract="0.3820243"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27778"
                           xFract="0.50684597"
                           y3="4.18355"
                           yFract="0.49568128"
                           z3="6.39968"
                           zFract="0.2880144"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13277"
                           xFract="0.25269787"
                           y3="0.02331"
                           yFract="0.00276185"
                           z3="8.44236"
                           zFract="0.37994419"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33098"
                           xFract="0.75011611"
                           y3="0.04743"
                           yFract="0.00561967"
                           z3="8.50585"
                           zFract="0.38280153"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.29228"
                           xFract="0.98249763"
                           y3="2.02206"
                           yFract="0.23958057"
                           z3="6.23228"
                           zFract="0.28048065"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14062"
                           xFract="0.25362796"
                           y3="8.42524"
                           yFract="0.99825118"
                           z3="6.29463"
                           zFract="0.28328668"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00289"
                           xFract="0.00034242"
                           y3="0.01641"
                           yFract="0.00194431"
                           z3="4.24292"
                           zFract="0.1909505"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39099"
                           xFract="0.99419313"
                           y3="0.09774"
                           yFract="0.01158057"
                           z3="8.38419"
                           zFract="0.37732628"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13385"
                           xFract="0.25282583"
                           y3="2.11225"
                           yFract="0.25026659"
                           z3="4.30168"
                           zFract="0.19359496"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.92271"
                           xFract="0.22780924"
                           y3="2.05978"
                           yFract="0.24404976"
                           z3="8.46955"
                           zFract="0.38116787"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39179"
                           xFract="0.52035427"
                           y3="2.11339"
                           yFract="0.25040166"
                           z3="6.25493"
                           zFract="0.2815"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32217"
                           xFract="0.74907227"
                           y3="8.34767"
                           yFract="0.98906043"
                           z3="6.30367"
                           zFract="0.28369352"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20755"
                           xFract="0.49852488"
                           y3="8.30059"
                           yFract="0.98348223"
                           z3="4.20782"
                           zFract="0.18937084"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28247"
                           xFract="0.50740166"
                           y3="0.01199"
                           yFract="0.00142062"
                           z3="8.46113"
                           zFract="0.38078893"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29353"
                           xFract="0.74567891"
                           y3="2.07591"
                           yFract="0.2459609"
                           z3="4.06392"
                           zFract="0.18289469"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.59419"
                           xFract="0.78130213"
                           y3="2.13368"
                           yFract="0.25280569"
                           z3="8.80575"
                           zFract="0.39629838"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4147"
                           xFract="0.99700237"
                           y3="6.4395"
                           yFract="0.76297393"
                           z3="6.39438"
                           zFract="0.28777588"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9594"
                           xFract="0.2321564"
                           y3="4.25969"
                           yFract="0.50470261"
                           z3="6.40779"
                           zFract="0.28837939"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02511"
                           xFract="0.00297512"
                           y3="4.18014"
                           yFract="0.49527725"
                           z3="4.11462"
                           zFract="0.18517642"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.19757"
                           xFract="0.02340877"
                           y3="4.1373"
                           yFract="0.49020142"
                           z3="9.19635"
                           zFract="0.41387714"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19509"
                           xFract="0.26008175"
                           y3="6.33166"
                           yFract="0.75019668"
                           z3="4.27245"
                           zFract="0.19227948"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08435"
                           xFract="0.2469609"
                           y3="6.37179"
                           yFract="0.75495142"
                           z3="8.47413"
                           zFract="0.38137399"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22763"
                           xFract="0.50090403"
                           y3="6.33322"
                           yFract="0.75038152"
                           z3="6.2771"
                           zFract="0.28249775"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44476"
                           xFract="0.76359716"
                           y3="4.30642"
                           yFract="0.51023934"
                           z3="6.31793"
                           zFract="0.28433528"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19533"
                           xFract="0.49707701"
                           y3="4.38981"
                           yFract="0.52011967"
                           z3="4.27997"
                           zFract="0.19261791"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13798"
                           xFract="0.49028199"
                           y3="4.2049"
                           yFract="0.4982109"
                           z3="8.52378"
                           zFract="0.38360846"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20331"
                           xFract="0.73498934"
                           y3="6.35966"
                           yFract="0.75351422"
                           z3="4.22584"
                           zFract="0.19018182"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40469"
                           xFract="0.75884953"
                           y3="6.25904"
                           yFract="0.74159242"
                           z3="8.47023"
                           zFract="0.38119847"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.57">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.0807"
                           xFract="0.00956161"
                           y3="4.18364"
                           yFract="0.49569194"
                           z3="10.16919"
                           zFract="0.45765932"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00357"
                           xFract="-0.00042299"
                           y3="6.37284"
                           yFract="0.75507583"
                           z3="8.48345"
                           zFract="0.38179343"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3332"
                           xFract="0.75037915"
                           y3="0.01064"
                           yFract="0.00126066"
                           z3="4.2456"
                           zFract="0.19107111"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03874"
                           xFract="0.00459005"
                           y3="2.0894"
                           yFract="0.24755924"
                           z3="8.74323"
                           zFract="0.3934847"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35167"
                           xFract="0.75256754"
                           y3="6.32953"
                           yFract="0.74994431"
                           z3="6.37818"
                           zFract="0.2870468"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20035"
                           xFract="0.4976718"
                           y3="6.32793"
                           yFract="0.74975474"
                           z3="4.22957"
                           zFract="0.19034968"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41754"
                           xFract="0.99733886"
                           y3="0.03997"
                           yFract="0.00473578"
                           z3="6.35664"
                           zFract="0.28607741"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4126"
                           xFract="0.99675355"
                           y3="2.10484"
                           yFract="0.24938863"
                           z3="4.21325"
                           zFract="0.18961521"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11392"
                           xFract="0.25046445"
                           y3="4.16877"
                           yFract="0.49393009"
                           z3="8.45824"
                           zFract="0.38065887"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09674"
                           xFract="0.24842891"
                           y3="4.21282"
                           yFract="0.49914929"
                           z3="4.25727"
                           zFract="0.19159631"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07192"
                           xFract="0.24548815"
                           y3="6.35194"
                           yFract="0.75259953"
                           z3="6.37016"
                           zFract="0.28668587"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09232"
                           xFract="0.24790521"
                           y3="0.01026"
                           yFract="0.00121564"
                           z3="4.21517"
                           zFract="0.18970162"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.23885"
                           xFract="0.50223341"
                           y3="0.04054"
                           yFract="0.00480332"
                           z3="6.32449"
                           zFract="0.28463051"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3635"
                           xFract="0.75396919"
                           y3="2.11006"
                           yFract="0.25000711"
                           z3="6.43621"
                           zFract="0.28965842"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2730"
                           xFract="0.74324645"
                           y3="4.12113"
                           yFract="0.48828555"
                           z3="8.63279"
                           zFract="0.3885144"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28464"
                           xFract="0.50765877"
                           y3="2.11933"
                           yFract="0.25110545"
                           z3="8.5908"
                           zFract="0.38662466"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42007"
                           xFract="0.99763863"
                           y3="6.31245"
                           yFract="0.74792062"
                           z3="4.25104"
                           zFract="0.19131593"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41581"
                           xFract="0.99713389"
                           y3="4.19851"
                           yFract="0.49745379"
                           z3="6.36118"
                           zFract="0.28628173"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22558"
                           xFract="0.50066114"
                           y3="2.1204"
                           yFract="0.25123223"
                           z3="4.20998"
                           zFract="0.18946805"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.05845"
                           xFract="0.24389218"
                           y3="2.10083"
                           yFract="0.24891351"
                           z3="6.40339"
                           zFract="0.28818137"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36308"
                           xFract="0.75391943"
                           y3="4.20359"
                           yFract="0.49805569"
                           z3="4.25018"
                           zFract="0.19127723"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25245"
                           xFract="0.50384479"
                           y3="6.32059"
                           yFract="0.74888507"
                           z3="8.49364"
                           zFract="0.38225203"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28004"
                           xFract="0.50711374"
                           y3="4.1854"
                           yFract="0.49590047"
                           z3="6.40379"
                           zFract="0.28819937"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13316"
                           xFract="0.25274408"
                           y3="0.0246"
                           yFract="0.00291469"
                           z3="8.44618"
                           zFract="0.38011611"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32715"
                           xFract="0.74966232"
                           y3="0.05328"
                           yFract="0.0063128"
                           z3="8.50794"
                           zFract="0.38289559"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28506"
                           xFract="0.98164218"
                           y3="2.01244"
                           yFract="0.23844076"
                           z3="6.20547"
                           zFract="0.27927408"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13979"
                           xFract="0.25352962"
                           y3="8.42499"
                           yFract="0.99822156"
                           z3="6.30063"
                           zFract="0.28355671"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0002"
                           xFract="0.0000237"
                           y3="0.01381"
                           yFract="0.00163626"
                           z3="4.23921"
                           zFract="0.19078353"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38084"
                           xFract="0.99299052"
                           y3="0.11578"
                           yFract="0.01371801"
                           z3="8.38797"
                           zFract="0.3774964"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14538"
                           xFract="0.25419194"
                           y3="2.11451"
                           yFract="0.25053436"
                           z3="4.30563"
                           zFract="0.19377273"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.90149"
                           xFract="0.22529502"
                           y3="2.05662"
                           yFract="0.24367536"
                           z3="8.47675"
                           zFract="0.3814919"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39073"
                           xFract="0.52022867"
                           y3="2.11474"
                           yFract="0.25056161"
                           z3="6.26464"
                           zFract="0.28193699"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31783"
                           xFract="0.74855806"
                           y3="8.34828"
                           yFract="0.9891327"
                           z3="6.30439"
                           zFract="0.28372592"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20707"
                           xFract="0.49846801"
                           y3="8.29858"
                           yFract="0.98324408"
                           z3="4.21048"
                           zFract="0.18949055"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28754"
                           xFract="0.50800237"
                           y3="0.01516"
                           yFract="0.00179621"
                           z3="8.46383"
                           zFract="0.38091044"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27976"
                           xFract="0.74404739"
                           y3="2.07524"
                           yFract="0.24588152"
                           z3="4.06087"
                           zFract="0.18275743"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.61048"
                           xFract="0.78323223"
                           y3="2.14332"
                           yFract="0.25394787"
                           z3="8.82796"
                           zFract="0.39729793"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41407"
                           xFract="0.99692773"
                           y3="6.44394"
                           yFract="0.7635"
                           z3="6.40298"
                           zFract="0.28816292"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95911"
                           xFract="0.23212204"
                           y3="4.25973"
                           yFract="0.50470735"
                           z3="6.41234"
                           zFract="0.28858416"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02645"
                           xFract="0.00313389"
                           y3="4.17955"
                           yFract="0.49520735"
                           z3="4.11208"
                           zFract="0.18506211"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.20399"
                           xFract="0.02416943"
                           y3="4.12089"
                           yFract="0.48825711"
                           z3="9.19936"
                           zFract="0.4140126"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19298"
                           xFract="0.25983175"
                           y3="6.33133"
                           yFract="0.75015758"
                           z3="4.27403"
                           zFract="0.19235059"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08867"
                           xFract="0.24747275"
                           y3="6.37782"
                           yFract="0.75566588"
                           z3="8.48031"
                           zFract="0.38165212"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22738"
                           xFract="0.50087441"
                           y3="6.33257"
                           yFract="0.7503045"
                           z3="6.28224"
                           zFract="0.28272907"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44553"
                           xFract="0.76368839"
                           y3="4.30031"
                           yFract="0.5095154"
                           z3="6.32057"
                           zFract="0.2844541"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19701"
                           xFract="0.49727607"
                           y3="4.39644"
                           yFract="0.52090521"
                           z3="4.2813"
                           zFract="0.19267777"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13778"
                           xFract="0.49025829"
                           y3="4.19805"
                           yFract="0.49739929"
                           z3="8.5300"
                           zFract="0.38388839"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20796"
                           xFract="0.73554028"
                           y3="6.35936"
                           yFract="0.75347867"
                           z3="4.22772"
                           zFract="0.19026643"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40337"
                           xFract="0.75869313"
                           y3="6.25076"
                           yFract="0.74061137"
                           z3="8.47583"
                           zFract="0.3814505"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.58">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.07398"
                           xFract="0.0087654"
                           y3="4.18309"
                           yFract="0.49562678"
                           z3="10.16294"
                           zFract="0.45737804"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00429"
                           xFract="-0.00050829"
                           y3="6.36963"
                           yFract="0.7546955"
                           z3="8.48427"
                           zFract="0.38183033"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33285"
                           xFract="0.75033768"
                           y3="0.01087"
                           yFract="0.00128791"
                           z3="4.24457"
                           zFract="0.19102475"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03248"
                           xFract="0.00384834"
                           y3="2.0891"
                           yFract="0.2475237"
                           z3="8.72418"
                           zFract="0.39262736"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35116"
                           xFract="0.75250711"
                           y3="6.33007"
                           yFract="0.75000829"
                           z3="6.37684"
                           zFract="0.2869865"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20214"
                           xFract="0.49788389"
                           y3="6.3315"
                           yFract="0.75017773"
                           z3="4.22838"
                           zFract="0.19029613"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41897"
                           xFract="0.99750829"
                           y3="0.03761"
                           yFract="0.00445616"
                           z3="6.36081"
                           zFract="0.28626508"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41332"
                           xFract="0.99683886"
                           y3="2.10646"
                           yFract="0.24958057"
                           z3="4.21505"
                           zFract="0.18969622"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1113"
                           xFract="0.25015403"
                           y3="4.17101"
                           yFract="0.4941955"
                           z3="8.4582"
                           zFract="0.38065707"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09606"
                           xFract="0.24834834"
                           y3="4.2128"
                           yFract="0.49914692"
                           z3="4.25585"
                           zFract="0.1915324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07216"
                           xFract="0.24551659"
                           y3="6.35131"
                           yFract="0.75252488"
                           z3="6.36887"
                           zFract="0.28662781"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09362"
                           xFract="0.24805924"
                           y3="0.01022"
                           yFract="0.0012109"
                           z3="4.21439"
                           zFract="0.18966652"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24026"
                           xFract="0.50240047"
                           y3="0.04063"
                           yFract="0.00481398"
                           z3="6.32248"
                           zFract="0.28454005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36144"
                           xFract="0.75372512"
                           y3="2.11141"
                           yFract="0.25016706"
                           z3="6.43566"
                           zFract="0.28963366"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.26956"
                           xFract="0.74283886"
                           y3="4.12036"
                           yFract="0.48819431"
                           z3="8.63169"
                           zFract="0.3884649"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28134"
                           xFract="0.50726777"
                           y3="2.11866"
                           yFract="0.25102607"
                           z3="8.5908"
                           zFract="0.38662466"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42013"
                           xFract="0.99764573"
                           y3="6.31205"
                           yFract="0.74787322"
                           z3="4.25005"
                           zFract="0.19127138"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41393"
                           xFract="0.99691114"
                           y3="4.20258"
                           yFract="0.49793602"
                           z3="6.36075"
                           zFract="0.28626238"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22586"
                           xFract="0.50069431"
                           y3="2.11962"
                           yFract="0.25113981"
                           z3="4.20768"
                           zFract="0.18936454"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.06459"
                           xFract="0.24461967"
                           y3="2.10182"
                           yFract="0.24903081"
                           z3="6.40079"
                           zFract="0.28806436"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36305"
                           xFract="0.75391588"
                           y3="4.20341"
                           yFract="0.49803436"
                           z3="4.25013"
                           zFract="0.19127498"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25201"
                           xFract="0.50379265"
                           y3="6.32141"
                           yFract="0.74898223"
                           z3="8.49166"
                           zFract="0.38216292"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27916"
                           xFract="0.50700948"
                           y3="4.18468"
                           yFract="0.49581517"
                           z3="6.40218"
                           zFract="0.28812691"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13301"
                           xFract="0.2527263"
                           y3="0.0241"
                           yFract="0.00285545"
                           z3="8.44468"
                           zFract="0.3800486"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32865"
                           xFract="0.74984005"
                           y3="0.05099"
                           yFract="0.00604147"
                           z3="8.50712"
                           zFract="0.38285869"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28789"
                           xFract="0.98197749"
                           y3="2.01621"
                           yFract="0.23888744"
                           z3="6.21597"
                           zFract="0.27974662"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14012"
                           xFract="0.25356872"
                           y3="8.42509"
                           yFract="0.99823341"
                           z3="6.29828"
                           zFract="0.28345095"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00125"
                           xFract="0.0001481"
                           y3="0.01483"
                           yFract="0.00175711"
                           z3="4.24066"
                           zFract="0.19084878"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38482"
                           xFract="0.99346209"
                           y3="0.10871"
                           yFract="0.01288033"
                           z3="8.38649"
                           zFract="0.37742979"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14086"
                           xFract="0.2536564"
                           y3="2.11363"
                           yFract="0.25043009"
                           z3="4.30408"
                           zFract="0.19370297"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9098"
                           xFract="0.22627962"
                           y3="2.05785"
                           yFract="0.24382109"
                           z3="8.47393"
                           zFract="0.38136499"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39115"
                           xFract="0.52027844"
                           y3="2.11421"
                           yFract="0.25049882"
                           z3="6.26084"
                           zFract="0.28176598"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31953"
                           xFract="0.74875948"
                           y3="8.34804"
                           yFract="0.98910427"
                           z3="6.30411"
                           zFract="0.28371332"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20726"
                           xFract="0.49849052"
                           y3="8.29937"
                           yFract="0.98333768"
                           z3="4.20944"
                           zFract="0.18944374"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28555"
                           xFract="0.50776659"
                           y3="0.01392"
                           yFract="0.00164929"
                           z3="8.46277"
                           zFract="0.38086274"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28516"
                           xFract="0.7446872"
                           y3="2.0755"
                           yFract="0.24591232"
                           z3="4.06206"
                           zFract="0.18281098"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6041"
                           xFract="0.7824763"
                           y3="2.13954"
                           yFract="0.2535"
                           z3="8.81926"
                           zFract="0.39690639"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41432"
                           xFract="0.99695735"
                           y3="6.4422"
                           yFract="0.76329384"
                           z3="6.39961"
                           zFract="0.28801125"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95922"
                           xFract="0.23213507"
                           y3="4.25971"
                           yFract="0.50470498"
                           z3="6.41056"
                           zFract="0.28850405"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02593"
                           xFract="0.00307227"
                           y3="4.17978"
                           yFract="0.4952346"
                           z3="4.11307"
                           zFract="0.18510666"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.20148"
                           xFract="0.02387204"
                           y3="4.12732"
                           yFract="0.48901896"
                           z3="9.19818"
                           zFract="0.4139595"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19381"
                           xFract="0.25993009"
                           y3="6.33146"
                           yFract="0.75017299"
                           z3="4.27341"
                           zFract="0.19232268"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08698"
                           xFract="0.24727251"
                           y3="6.37546"
                           yFract="0.75538626"
                           z3="8.47789"
                           zFract="0.3815432"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22748"
                           xFract="0.50088626"
                           y3="6.33283"
                           yFract="0.75033531"
                           z3="6.28023"
                           zFract="0.28263861"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44523"
                           xFract="0.76365284"
                           y3="4.3027"
                           yFract="0.50979858"
                           z3="6.31953"
                           zFract="0.28440729"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19635"
                           xFract="0.49719787"
                           y3="4.39384"
                           yFract="0.52059716"
                           z3="4.28078"
                           zFract="0.19265437"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13785"
                           xFract="0.49026659"
                           y3="4.20074"
                           yFract="0.49771801"
                           z3="8.52756"
                           zFract="0.38377858"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20614"
                           xFract="0.73532464"
                           y3="6.35948"
                           yFract="0.75349289"
                           z3="4.22699"
                           zFract="0.19023357"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40389"
                           xFract="0.75875474"
                           y3="6.2540"
                           yFract="0.74099526"
                           z3="8.47364"
                           zFract="0.38135194"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.59">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.07453"
                           xFract="0.00883057"
                           y3="4.18301"
                           yFract="0.4956173"
                           z3="10.16453"
                           zFract="0.45744959"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00456"
                           xFract="-0.00054028"
                           y3="6.37019"
                           yFract="0.75476185"
                           z3="8.4845"
                           zFract="0.38184068"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33286"
                           xFract="0.75033886"
                           y3="0.01085"
                           yFract="0.00128555"
                           z3="4.24474"
                           zFract="0.1910324"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03164"
                           xFract="0.00374882"
                           y3="2.08748"
                           yFract="0.24733175"
                           z3="8.72742"
                           zFract="0.39277318"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35086"
                           xFract="0.75247156"
                           y3="6.32986"
                           yFract="0.74998341"
                           z3="6.37648"
                           zFract="0.2869703"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20259"
                           xFract="0.4979372"
                           y3="6.33323"
                           yFract="0.7503827"
                           z3="4.22813"
                           zFract="0.19028488"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4187"
                           xFract="0.9974763"
                           y3="0.0379"
                           yFract="0.00449052"
                           z3="6.35933"
                           zFract="0.28619847"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41338"
                           xFract="0.99684597"
                           y3="2.10593"
                           yFract="0.24951777"
                           z3="4.21305"
                           zFract="0.18960621"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11281"
                           xFract="0.25033294"
                           y3="4.17117"
                           yFract="0.49421445"
                           z3="8.45789"
                           zFract="0.38064311"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09599"
                           xFract="0.24834005"
                           y3="4.2127"
                           yFract="0.49913507"
                           z3="4.25583"
                           zFract="0.1915315"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07219"
                           xFract="0.24552014"
                           y3="6.35125"
                           yFract="0.75251777"
                           z3="6.36879"
                           zFract="0.28662421"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09345"
                           xFract="0.2480391"
                           y3="0.01019"
                           yFract="0.00120735"
                           z3="4.2147"
                           zFract="0.18968047"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24037"
                           xFract="0.50241351"
                           y3="0.04062"
                           yFract="0.0048128"
                           z3="6.3223"
                           zFract="0.28453195"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36117"
                           xFract="0.75369313"
                           y3="2.11129"
                           yFract="0.25015284"
                           z3="6.4355"
                           zFract="0.28962646"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.27036"
                           xFract="0.74293365"
                           y3="4.12024"
                           yFract="0.48818009"
                           z3="8.6320"
                           zFract="0.38847885"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28191"
                           xFract="0.50733531"
                           y3="2.11899"
                           yFract="0.25106517"
                           z3="8.5904"
                           zFract="0.38660666"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42024"
                           xFract="0.99765877"
                           y3="6.31246"
                           yFract="0.7479218"
                           z3="4.25057"
                           zFract="0.19129478"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41367"
                           xFract="0.99688033"
                           y3="4.20161"
                           yFract="0.49782109"
                           z3="6.36101"
                           zFract="0.28627408"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22574"
                           xFract="0.50068009"
                           y3="2.11942"
                           yFract="0.25111611"
                           z3="4.20795"
                           zFract="0.18937669"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.06331"
                           xFract="0.24446801"
                           y3="2.10159"
                           yFract="0.24900355"
                           z3="6.40045"
                           zFract="0.28804905"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36303"
                           xFract="0.75391351"
                           y3="4.20355"
                           yFract="0.49805095"
                           z3="4.25022"
                           zFract="0.19127903"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25242"
                           xFract="0.50384123"
                           y3="6.3210"
                           yFract="0.74893365"
                           z3="8.49178"
                           zFract="0.38216832"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27906"
                           xFract="0.50699763"
                           y3="4.18418"
                           yFract="0.49575592"
                           z3="6.40304"
                           zFract="0.28816562"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1330"
                           xFract="0.25272512"
                           y3="0.02341"
                           yFract="0.0027737"
                           z3="8.44422"
                           zFract="0.3800279"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32878"
                           xFract="0.74985545"
                           y3="0.0517"
                           yFract="0.00612559"
                           z3="8.50697"
                           zFract="0.38285194"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28785"
                           xFract="0.98197275"
                           y3="2.0164"
                           yFract="0.23890995"
                           z3="6.2157"
                           zFract="0.27973447"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14029"
                           xFract="0.25358886"
                           y3="8.42474"
                           yFract="0.99819194"
                           z3="6.29921"
                           zFract="0.2834928"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00079"
                           xFract="0.0000936"
                           y3="0.01379"
                           yFract="0.00163389"
                           z3="4.24085"
                           zFract="0.19085734"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38509"
                           xFract="0.99349408"
                           y3="0.11062"
                           yFract="0.01310664"
                           z3="8.38725"
                           zFract="0.377464"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14121"
                           xFract="0.25369787"
                           y3="2.11412"
                           yFract="0.25048815"
                           z3="4.30369"
                           zFract="0.19368542"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.91037"
                           xFract="0.22634716"
                           y3="2.05873"
                           yFract="0.24392536"
                           z3="8.47526"
                           zFract="0.38142484"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39128"
                           xFract="0.52029384"
                           y3="2.11453"
                           yFract="0.25053673"
                           z3="6.26145"
                           zFract="0.28179343"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.31979"
                           xFract="0.74879028"
                           y3="8.34798"
                           yFract="0.98909716"
                           z3="6.30442"
                           zFract="0.28372727"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20743"
                           xFract="0.49851066"
                           y3="8.29882"
                           yFract="0.98327251"
                           z3="4.20938"
                           zFract="0.18944104"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28568"
                           xFract="0.50778199"
                           y3="0.01452"
                           yFract="0.00172038"
                           z3="8.46331"
                           zFract="0.38088704"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28458"
                           xFract="0.74461848"
                           y3="2.07536"
                           yFract="0.24589573"
                           z3="4.06175"
                           zFract="0.18279703"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60461"
                           xFract="0.78253673"
                           y3="2.14089"
                           yFract="0.25365995"
                           z3="8.8209"
                           zFract="0.3969802"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41424"
                           xFract="0.99694787"
                           y3="6.44288"
                           yFract="0.76337441"
                           z3="6.40001"
                           zFract="0.28802925"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95963"
                           xFract="0.23218365"
                           y3="4.25985"
                           yFract="0.50472156"
                           z3="6.4111"
                           zFract="0.28852835"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02612"
                           xFract="0.00309479"
                           y3="4.18023"
                           yFract="0.49528791"
                           z3="4.11307"
                           zFract="0.18510666"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.20234"
                           xFract="0.02397393"
                           y3="4.12559"
                           yFract="0.48881398"
                           z3="9.19859"
                           zFract="0.41397795"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19365"
                           xFract="0.25991114"
                           y3="6.33091"
                           yFract="0.75010782"
                           z3="4.27392"
                           zFract="0.19234563"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08656"
                           xFract="0.24722275"
                           y3="6.3754"
                           yFract="0.75537915"
                           z3="8.47836"
                           zFract="0.38156436"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22763"
                           xFract="0.50090403"
                           y3="6.33302"
                           yFract="0.75035782"
                           z3="6.28095"
                           zFract="0.28267102"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44499"
                           xFract="0.76362441"
                           y3="4.30258"
                           yFract="0.50978436"
                           z3="6.32002"
                           zFract="0.28442934"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1962"
                           xFract="0.49718009"
                           y3="4.39308"
                           yFract="0.52050711"
                           z3="4.2809"
                           zFract="0.19265977"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13751"
                           xFract="0.4902263"
                           y3="4.2004"
                           yFract="0.49767773"
                           z3="8.52735"
                           zFract="0.38376913"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20599"
                           xFract="0.73530687"
                           y3="6.35937"
                           yFract="0.75347986"
                           z3="4.22718"
                           zFract="0.19024212"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40355"
                           xFract="0.75871445"
                           y3="6.25358"
                           yFract="0.7409455"
                           z3="8.47384"
                           zFract="0.38136094"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.60">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.07621"
                           xFract="0.00902962"
                           y3="4.18276"
                           yFract="0.49558768"
                           z3="10.16928"
                           zFract="0.45766337"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00535"
                           xFract="-0.00063389"
                           y3="6.37189"
                           yFract="0.75496327"
                           z3="8.48517"
                           zFract="0.38187084"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3329"
                           xFract="0.7503436"
                           y3="0.01079"
                           yFract="0.00127844"
                           z3="4.24525"
                           zFract="0.19105536"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02911"
                           xFract="0.00344905"
                           y3="2.08264"
                           yFract="0.24675829"
                           z3="8.73715"
                           zFract="0.39321107"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34998"
                           xFract="0.7523673"
                           y3="6.32925"
                           yFract="0.74991114"
                           z3="6.37539"
                           zFract="0.28692124"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20394"
                           xFract="0.49809716"
                           y3="6.33841"
                           yFract="0.75099645"
                           z3="4.22738"
                           zFract="0.19025113"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41791"
                           xFract="0.9973827"
                           y3="0.03877"
                           yFract="0.0045936"
                           z3="6.3549"
                           zFract="0.2859991"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41358"
                           xFract="0.99686967"
                           y3="2.10436"
                           yFract="0.24933175"
                           z3="4.20706"
                           zFract="0.18933663"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11736"
                           xFract="0.25087204"
                           y3="4.17168"
                           yFract="0.49427488"
                           z3="8.45697"
                           zFract="0.38060171"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09581"
                           xFract="0.24831872"
                           y3="4.21241"
                           yFract="0.49910071"
                           z3="4.25578"
                           zFract="0.19152925"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07227"
                           xFract="0.24552962"
                           y3="6.35109"
                           yFract="0.75249882"
                           z3="6.36856"
                           zFract="0.28661386"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09293"
                           xFract="0.24797749"
                           y3="0.01012"
                           yFract="0.00119905"
                           z3="4.21561"
                           zFract="0.18972142"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24071"
                           xFract="0.50245379"
                           y3="0.04061"
                           yFract="0.00481161"
                           z3="6.32176"
                           zFract="0.28450765"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36036"
                           xFract="0.75359716"
                           y3="2.11093"
                           yFract="0.25011019"
                           z3="6.43504"
                           zFract="0.28960576"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.27275"
                           xFract="0.74321682"
                           y3="4.1199"
                           yFract="0.48813981"
                           z3="8.63294"
                           zFract="0.38852115"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28362"
                           xFract="0.50753791"
                           y3="2.11996"
                           yFract="0.25118009"
                           z3="8.5892"
                           zFract="0.38655266"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42057"
                           xFract="0.99769787"
                           y3="6.31369"
                           yFract="0.74806754"
                           z3="4.25211"
                           zFract="0.19136409"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4129"
                           xFract="0.9967891"
                           y3="4.19869"
                           yFract="0.49747512"
                           z3="6.36178"
                           zFract="0.28630873"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22539"
                           xFract="0.50063863"
                           y3="2.11884"
                           yFract="0.25104739"
                           z3="4.20877"
                           zFract="0.18941359"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.05946"
                           xFract="0.24401185"
                           y3="2.1009"
                           yFract="0.2489218"
                           z3="6.39943"
                           zFract="0.28800315"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36297"
                           xFract="0.7539064"
                           y3="4.20398"
                           yFract="0.4981019"
                           z3="4.25049"
                           zFract="0.19129118"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25363"
                           xFract="0.5039846"
                           y3="6.31976"
                           yFract="0.74878673"
                           z3="8.49216"
                           zFract="0.38218542"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27878"
                           xFract="0.50696445"
                           y3="4.18268"
                           yFract="0.4955782"
                           z3="6.40563"
                           zFract="0.28828218"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13298"
                           xFract="0.25272275"
                           y3="0.02135"
                           yFract="0.00252962"
                           z3="8.44284"
                           zFract="0.3799658"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32918"
                           xFract="0.74990284"
                           y3="0.05382"
                           yFract="0.00637678"
                           z3="8.50654"
                           zFract="0.38283258"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28772"
                           xFract="0.98195735"
                           y3="2.01699"
                           yFract="0.23897986"
                           z3="6.21489"
                           zFract="0.27969802"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1408"
                           xFract="0.25364929"
                           y3="8.42369"
                           yFract="0.99806754"
                           z3="6.30202"
                           zFract="0.28361926"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00061"
                           xFract="-0.00007227"
                           y3="0.0107"
                           yFract="0.00126777"
                           z3="4.2414"
                           zFract="0.19088209"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3859"
                           xFract="0.99359005"
                           y3="0.11636"
                           yFract="0.01378673"
                           z3="8.38952"
                           zFract="0.37756616"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14227"
                           xFract="0.25382346"
                           y3="2.11558"
                           yFract="0.25066114"
                           z3="4.30249"
                           zFract="0.19363141"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.91207"
                           xFract="0.22654858"
                           y3="2.06134"
                           yFract="0.2442346"
                           z3="8.47924"
                           zFract="0.38160396"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39169"
                           xFract="0.52034242"
                           y3="2.11547"
                           yFract="0.2506481"
                           z3="6.26328"
                           zFract="0.28187579"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32056"
                           xFract="0.74888152"
                           y3="8.34781"
                           yFract="0.98907701"
                           z3="6.30536"
                           zFract="0.28376958"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20796"
                           xFract="0.49857346"
                           y3="8.29715"
                           yFract="0.98307464"
                           z3="4.2092"
                           zFract="0.18943294"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28607"
                           xFract="0.5078282"
                           y3="0.01632"
                           yFract="0.00193365"
                           z3="8.4649"
                           zFract="0.3809586"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28286"
                           xFract="0.74441469"
                           y3="2.07493"
                           yFract="0.24584479"
                           z3="4.06079"
                           zFract="0.18275383"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60615"
                           xFract="0.78271919"
                           y3="2.14496"
                           yFract="0.25414218"
                           z3="8.82585"
                           zFract="0.39720297"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4140"
                           xFract="0.99691943"
                           y3="6.44494"
                           yFract="0.76361848"
                           z3="6.40119"
                           zFract="0.28808236"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96087"
                           xFract="0.23233057"
                           y3="4.26027"
                           yFract="0.50477133"
                           z3="6.41271"
                           zFract="0.28860081"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02672"
                           xFract="0.00316588"
                           y3="4.18158"
                           yFract="0.49544787"
                           z3="4.11305"
                           zFract="0.18510576"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.20491"
                           xFract="0.02427844"
                           y3="4.12039"
                           yFract="0.48819787"
                           z3="9.1998"
                           zFract="0.4140324"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19317"
                           xFract="0.25985427"
                           y3="6.32925"
                           yFract="0.74991114"
                           z3="4.27545"
                           zFract="0.19241449"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0853"
                           xFract="0.24707346"
                           y3="6.37522"
                           yFract="0.75535782"
                           z3="8.47976"
                           zFract="0.38162736"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22807"
                           xFract="0.50095616"
                           y3="6.33361"
                           yFract="0.75042773"
                           z3="6.28309"
                           zFract="0.28276733"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44427"
                           xFract="0.7635391"
                           y3="4.30222"
                           yFract="0.50974171"
                           z3="6.32147"
                           zFract="0.2844946"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19573"
                           xFract="0.49712441"
                           y3="4.39079"
                           yFract="0.52023578"
                           z3="4.28125"
                           zFract="0.19267552"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13649"
                           xFract="0.49010545"
                           y3="4.1994"
                           yFract="0.49755924"
                           z3="8.5267"
                           zFract="0.38373987"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20557"
                           xFract="0.73525711"
                           y3="6.35903"
                           yFract="0.75343957"
                           z3="4.22776"
                           zFract="0.19026823"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40252"
                           xFract="0.75859242"
                           y3="6.2523"
                           yFract="0.74079384"
                           z3="8.47447"
                           zFract="0.38138929"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.61">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.07955"
                           xFract="0.00942536"
                           y3="4.18226"
                           yFract="0.49552844"
                           z3="10.17878"
                           zFract="0.45809091"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00694"
                           xFract="-0.00082227"
                           y3="6.37528"
                           yFract="0.75536493"
                           z3="8.48651"
                           zFract="0.38193114"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33299"
                           xFract="0.75035427"
                           y3="0.01068"
                           yFract="0.0012654"
                           z3="4.24626"
                           zFract="0.19110081"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02406"
                           xFract="0.00285071"
                           y3="2.07295"
                           yFract="0.24561019"
                           z3="8.7566"
                           zFract="0.39408641"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34821"
                           xFract="0.75215758"
                           y3="6.32802"
                           yFract="0.7497654"
                           z3="6.37322"
                           zFract="0.28682358"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20664"
                           xFract="0.49841706"
                           y3="6.34877"
                           yFract="0.75222393"
                           z3="4.22588"
                           zFract="0.19018362"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41631"
                           xFract="0.99719313"
                           y3="0.04052"
                           yFract="0.00480095"
                           z3="6.34602"
                           zFract="0.28559946"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41399"
                           xFract="0.99691825"
                           y3="2.10121"
                           yFract="0.24895853"
                           z3="4.19508"
                           zFract="0.18879748"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12644"
                           xFract="0.25194787"
                           y3="4.17268"
                           yFract="0.49439336"
                           z3="8.45512"
                           zFract="0.38051845"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09545"
                           xFract="0.24827607"
                           y3="4.21182"
                           yFract="0.49903081"
                           z3="4.25568"
                           zFract="0.19152475"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07243"
                           xFract="0.24554858"
                           y3="6.35075"
                           yFract="0.75245853"
                           z3="6.36811"
                           zFract="0.28659361"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09189"
                           xFract="0.24785427"
                           y3="0.00997"
                           yFract="0.00118128"
                           z3="4.21743"
                           zFract="0.18980333"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24137"
                           xFract="0.50253199"
                           y3="0.04057"
                           yFract="0.00480687"
                           z3="6.32068"
                           zFract="0.28445905"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35874"
                           xFract="0.75340521"
                           y3="2.11021"
                           yFract="0.25002488"
                           z3="6.43411"
                           zFract="0.28956391"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.27752"
                           xFract="0.74378199"
                           y3="4.11921"
                           yFract="0.48805806"
                           z3="8.63483"
                           zFract="0.38860621"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28703"
                           xFract="0.50794194"
                           y3="2.1219"
                           yFract="0.25140995"
                           z3="8.58678"
                           zFract="0.38644374"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42121"
                           xFract="0.9977737"
                           y3="6.31615"
                           yFract="0.748359"
                           z3="4.2552"
                           zFract="0.19150315"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41136"
                           xFract="0.99660664"
                           y3="4.19285"
                           yFract="0.49678318"
                           z3="6.36331"
                           zFract="0.28637759"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22469"
                           xFract="0.50055569"
                           y3="2.11766"
                           yFract="0.25090758"
                           z3="4.21041"
                           zFract="0.1894874"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.05177"
                           xFract="0.24310071"
                           y3="2.09951"
                           yFract="0.24875711"
                           z3="6.39738"
                           zFract="0.28791089"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36286"
                           xFract="0.75389336"
                           y3="4.20482"
                           yFract="0.49820142"
                           z3="4.25103"
                           zFract="0.19131548"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25606"
                           xFract="0.50427251"
                           y3="6.31729"
                           yFract="0.74849408"
                           z3="8.49291"
                           zFract="0.38221917"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27821"
                           xFract="0.50689692"
                           y3="4.17968"
                           yFract="0.49522275"
                           z3="6.41079"
                           zFract="0.2885144"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13293"
                           xFract="0.25271682"
                           y3="0.01722"
                           yFract="0.00204028"
                           z3="8.44008"
                           zFract="0.37984158"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32997"
                           xFract="0.74999645"
                           y3="0.05807"
                           yFract="0.00688033"
                           z3="8.50567"
                           zFract="0.38279343"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28745"
                           xFract="0.98192536"
                           y3="2.01817"
                           yFract="0.23911967"
                           z3="6.21327"
                           zFract="0.27962511"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14183"
                           xFract="0.25377133"
                           y3="8.4216"
                           yFract="0.99781991"
                           z3="6.30763"
                           zFract="0.28387174"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00341"
                           xFract="-0.00040403"
                           y3="0.0045"
                           yFract="0.00053318"
                           z3="4.24252"
                           zFract="0.19093249"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38752"
                           xFract="0.99378199"
                           y3="0.12783"
                           yFract="0.01514573"
                           z3="8.39408"
                           zFract="0.37777138"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14439"
                           xFract="0.25407464"
                           y3="2.11851"
                           yFract="0.25100829"
                           z3="4.30011"
                           zFract="0.1935243"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.91548"
                           xFract="0.22695261"
                           y3="2.06657"
                           yFract="0.24485427"
                           z3="8.4872"
                           zFract="0.3819622"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39251"
                           xFract="0.52043957"
                           y3="2.11736"
                           yFract="0.25087204"
                           z3="6.26694"
                           zFract="0.2820405"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32212"
                           xFract="0.74906635"
                           y3="8.34747"
                           yFract="0.98903673"
                           z3="6.30723"
                           zFract="0.28385374"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20901"
                           xFract="0.49869787"
                           y3="8.29383"
                           yFract="0.98268128"
                           z3="4.20884"
                           zFract="0.18941674"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28684"
                           xFract="0.50791943"
                           y3="0.01993"
                           yFract="0.00236137"
                           z3="8.46809"
                           zFract="0.38110216"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27942"
                           xFract="0.74400711"
                           y3="2.07408"
                           yFract="0.24574408"
                           z3="4.05889"
                           zFract="0.18266832"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60923"
                           xFract="0.78308412"
                           y3="2.15308"
                           yFract="0.25510427"
                           z3="8.83573"
                           zFract="0.39764761"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41353"
                           xFract="0.99686374"
                           y3="6.44905"
                           yFract="0.76410545"
                           z3="6.40355"
                           zFract="0.28818857"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96334"
                           xFract="0.23262322"
                           y3="4.26111"
                           yFract="0.50487085"
                           z3="6.41593"
                           zFract="0.28874572"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0279"
                           xFract="0.00330569"
                           y3="4.18428"
                           yFract="0.49576777"
                           z3="4.11301"
                           zFract="0.18510396"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.21007"
                           xFract="0.02488981"
                           y3="4.11001"
                           yFract="0.48696801"
                           z3="9.20223"
                           zFract="0.41414176"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1922"
                           xFract="0.25973934"
                           y3="6.32594"
                           yFract="0.74951896"
                           z3="4.2785"
                           zFract="0.19255176"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08278"
                           xFract="0.24677488"
                           y3="6.37485"
                           yFract="0.75531398"
                           z3="8.48255"
                           zFract="0.38175293"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22895"
                           xFract="0.50106043"
                           y3="6.33479"
                           yFract="0.75056754"
                           z3="6.28737"
                           zFract="0.28295995"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44284"
                           xFract="0.76336967"
                           y3="4.3015"
                           yFract="0.5096564"
                           z3="6.32437"
                           zFract="0.28462511"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19481"
                           xFract="0.4970154"
                           y3="4.38621"
                           yFract="0.51969313"
                           z3="4.28196"
                           zFract="0.19270747"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13445"
                           xFract="0.48986374"
                           y3="4.19739"
                           yFract="0.49732109"
                           z3="8.52541"
                           zFract="0.38368182"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20471"
                           xFract="0.73515521"
                           y3="6.35836"
                           yFract="0.75336019"
                           z3="4.22891"
                           zFract="0.19031998"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40047"
                           xFract="0.75834953"
                           y3="6.24974"
                           yFract="0.74049052"
                           z3="8.47572"
                           zFract="0.38144554"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.62">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.07864"
                           xFract="0.00931754"
                           y3="4.18239"
                           yFract="0.49554384"
                           z3="10.17619"
                           zFract="0.45797435"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00651"
                           xFract="-0.00077133"
                           y3="6.37435"
                           yFract="0.75525474"
                           z3="8.48615"
                           zFract="0.38191494"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33297"
                           xFract="0.7503519"
                           y3="0.01071"
                           yFract="0.00126896"
                           z3="4.24598"
                           zFract="0.19108821"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02543"
                           xFract="0.00301303"
                           y3="2.07559"
                           yFract="0.24592299"
                           z3="8.7513"
                           zFract="0.39384788"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34869"
                           xFract="0.75221445"
                           y3="6.32835"
                           yFract="0.7498045"
                           z3="6.37381"
                           zFract="0.28685014"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20591"
                           xFract="0.49833057"
                           y3="6.34595"
                           yFract="0.75188981"
                           z3="4.22629"
                           zFract="0.19020207"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41675"
                           xFract="0.99724526"
                           y3="0.04005"
                           yFract="0.00474526"
                           z3="6.34844"
                           zFract="0.28570837"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41388"
                           xFract="0.99690521"
                           y3="2.10207"
                           yFract="0.24906043"
                           z3="4.19834"
                           zFract="0.18894419"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12397"
                           xFract="0.25165521"
                           y3="4.17241"
                           yFract="0.49436137"
                           z3="8.45563"
                           zFract="0.3805414"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09555"
                           xFract="0.24828791"
                           y3="4.21198"
                           yFract="0.49904976"
                           z3="4.25571"
                           zFract="0.1915261"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07238"
                           xFract="0.24554265"
                           y3="6.35084"
                           yFract="0.75246919"
                           z3="6.36823"
                           zFract="0.28659901"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09218"
                           xFract="0.24788863"
                           y3="0.01001"
                           yFract="0.00118602"
                           z3="4.21694"
                           zFract="0.18978128"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24119"
                           xFract="0.50251066"
                           y3="0.04058"
                           yFract="0.00480806"
                           z3="6.32098"
                           zFract="0.28447255"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35919"
                           xFract="0.75345853"
                           y3="2.1104"
                           yFract="0.25004739"
                           z3="6.43436"
                           zFract="0.28957516"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.27622"
                           xFract="0.74362796"
                           y3="4.1194"
                           yFract="0.48808057"
                           z3="8.63431"
                           zFract="0.38858281"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2861"
                           xFract="0.50783175"
                           y3="2.12137"
                           yFract="0.25134716"
                           z3="8.58744"
                           zFract="0.38647345"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42104"
                           xFract="0.99775355"
                           y3="6.31548"
                           yFract="0.74827962"
                           z3="4.25436"
                           zFract="0.19146535"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41178"
                           xFract="0.9966564"
                           y3="4.19444"
                           yFract="0.49697156"
                           z3="6.36289"
                           zFract="0.28635869"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22488"
                           xFract="0.5005782"
                           y3="2.11798"
                           yFract="0.2509455"
                           z3="4.20996"
                           zFract="0.18946715"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.05386"
                           xFract="0.24334834"
                           y3="2.09989"
                           yFract="0.24880213"
                           z3="6.39794"
                           zFract="0.28793609"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36289"
                           xFract="0.75389692"
                           y3="4.20459"
                           yFract="0.49817417"
                           z3="4.25088"
                           zFract="0.19130873"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25539"
                           xFract="0.50419313"
                           y3="6.31796"
                           yFract="0.74857346"
                           z3="8.49271"
                           zFract="0.38221017"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27836"
                           xFract="0.50691469"
                           y3="4.1805"
                           yFract="0.49531991"
                           z3="6.40938"
                           zFract="0.28845095"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13294"
                           xFract="0.25271801"
                           y3="0.01834"
                           yFract="0.00217299"
                           z3="8.44083"
                           zFract="0.37987534"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32975"
                           xFract="0.74997038"
                           y3="0.05691"
                           yFract="0.00674289"
                           z3="8.50591"
                           zFract="0.38280423"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28753"
                           xFract="0.98193483"
                           y3="2.01785"
                           yFract="0.23908175"
                           z3="6.21372"
                           zFract="0.27964536"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14155"
                           xFract="0.25373815"
                           y3="8.42217"
                           yFract="0.99788744"
                           z3="6.3061"
                           zFract="0.28380288"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00264"
                           xFract="-0.0003128"
                           y3="0.00619"
                           yFract="0.00073341"
                           z3="4.24222"
                           zFract="0.19091899"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38708"
                           xFract="0.99372986"
                           y3="0.1247"
                           yFract="0.01477488"
                           z3="8.39284"
                           zFract="0.37771557"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14382"
                           xFract="0.25400711"
                           y3="2.11772"
                           yFract="0.25091469"
                           z3="4.30076"
                           zFract="0.19355356"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.91455"
                           xFract="0.22684242"
                           y3="2.06515"
                           yFract="0.24468602"
                           z3="8.48503"
                           zFract="0.38186454"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39229"
                           xFract="0.52041351"
                           y3="2.11684"
                           yFract="0.25081043"
                           z3="6.26594"
                           zFract="0.2819955"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32169"
                           xFract="0.7490154"
                           y3="8.34756"
                           yFract="0.98904739"
                           z3="6.30672"
                           zFract="0.28383078"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20873"
                           xFract="0.49866469"
                           y3="8.29473"
                           yFract="0.98278791"
                           z3="4.20894"
                           zFract="0.18942124"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28663"
                           xFract="0.50789455"
                           y3="0.01895"
                           yFract="0.00224526"
                           z3="8.46723"
                           zFract="0.38106346"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28035"
                           xFract="0.7441173"
                           y3="2.07431"
                           yFract="0.24577133"
                           z3="4.05941"
                           zFract="0.18269172"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6084"
                           xFract="0.78298578"
                           y3="2.15086"
                           yFract="0.25484123"
                           z3="8.83304"
                           zFract="0.39752655"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41366"
                           xFract="0.99687915"
                           y3="6.44793"
                           yFract="0.76397275"
                           z3="6.40291"
                           zFract="0.28815977"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96266"
                           xFract="0.23254265"
                           y3="4.26088"
                           yFract="0.5048436"
                           z3="6.41505"
                           zFract="0.28870612"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02758"
                           xFract="0.00326777"
                           y3="4.18354"
                           yFract="0.49568009"
                           z3="4.11302"
                           zFract="0.18510441"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.20866"
                           xFract="0.02472275"
                           y3="4.11284"
                           yFract="0.48730332"
                           z3="9.20157"
                           zFract="0.41411206"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19246"
                           xFract="0.25977014"
                           y3="6.32684"
                           yFract="0.74962559"
                           z3="4.27767"
                           zFract="0.1925144"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08347"
                           xFract="0.24685664"
                           y3="6.37495"
                           yFract="0.75532583"
                           z3="8.48179"
                           zFract="0.38171872"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22871"
                           xFract="0.50103199"
                           y3="6.33447"
                           yFract="0.75052962"
                           z3="6.2862"
                           zFract="0.28290729"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44323"
                           xFract="0.76341588"
                           y3="4.30169"
                           yFract="0.50967891"
                           z3="6.32358"
                           zFract="0.28458956"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19506"
                           xFract="0.49704502"
                           y3="4.38745"
                           yFract="0.51984005"
                           z3="4.28177"
                           zFract="0.19269892"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13501"
                           xFract="0.48993009"
                           y3="4.19794"
                           yFract="0.49738626"
                           z3="8.52577"
                           zFract="0.38369802"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20494"
                           xFract="0.73518246"
                           y3="6.35854"
                           yFract="0.75338152"
                           z3="4.2286"
                           zFract="0.19030603"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40103"
                           xFract="0.75841588"
                           y3="6.25044"
                           yFract="0.74057346"
                           z3="8.47538"
                           zFract="0.38143024"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.63">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08007"
                           xFract="0.00948697"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="10.17354"
                           zFract="0.45785509"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00747"
                           xFract="-0.00088507"
                           y3="6.37526"
                           yFract="0.75536256"
                           z3="8.48679"
                           zFract="0.38194374"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33278"
                           xFract="0.75032938"
                           y3="0.0107"
                           yFract="0.00126777"
                           z3="4.24602"
                           zFract="0.19109001"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02556"
                           xFract="0.00302844"
                           y3="2.07325"
                           yFract="0.24564573"
                           z3="8.75691"
                           zFract="0.39410036"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34811"
                           xFract="0.75214573"
                           y3="6.32783"
                           yFract="0.74974289"
                           z3="6.37322"
                           zFract="0.28682358"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20647"
                           xFract="0.49839692"
                           y3="6.34634"
                           yFract="0.75193602"
                           z3="4.22612"
                           zFract="0.19019442"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41642"
                           xFract="0.99720616"
                           y3="0.04072"
                           yFract="0.00482464"
                           z3="6.3472"
                           zFract="0.28565257"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41387"
                           xFract="0.99690403"
                           y3="2.10136"
                           yFract="0.2489763"
                           z3="4.19476"
                           zFract="0.18878308"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12601"
                           xFract="0.25189692"
                           y3="4.17295"
                           yFract="0.49442536"
                           z3="8.45556"
                           zFract="0.38053825"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09567"
                           xFract="0.24830213"
                           y3="4.21204"
                           yFract="0.49905687"
                           z3="4.2557"
                           zFract="0.19152565"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07247"
                           xFract="0.24555332"
                           y3="6.35017"
                           yFract="0.75238981"
                           z3="6.36816"
                           zFract="0.28659586"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09209"
                           xFract="0.24787796"
                           y3="0.00971"
                           yFract="0.00115047"
                           z3="4.21764"
                           zFract="0.18981278"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24176"
                           xFract="0.5025782"
                           y3="0.04068"
                           yFract="0.00481991"
                           z3="6.32084"
                           zFract="0.28446625"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35875"
                           xFract="0.7534064"
                           y3="2.11047"
                           yFract="0.25005569"
                           z3="6.43371"
                           zFract="0.2895459"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2781"
                           xFract="0.74385071"
                           y3="4.11948"
                           yFract="0.48809005"
                           z3="8.63492"
                           zFract="0.38861026"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28671"
                           xFract="0.50790403"
                           y3="2.1219"
                           yFract="0.25140995"
                           z3="8.58648"
                           zFract="0.38643024"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42139"
                           xFract="0.99779502"
                           y3="6.31584"
                           yFract="0.74832227"
                           z3="4.25546"
                           zFract="0.19151485"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41114"
                           xFract="0.99658057"
                           y3="4.1925"
                           yFract="0.49674171"
                           z3="6.36369"
                           zFract="0.28639469"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22461"
                           xFract="0.50054621"
                           y3="2.1177"
                           yFract="0.25091232"
                           z3="4.21035"
                           zFract="0.1894847"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.05131"
                           xFract="0.24304621"
                           y3="2.09972"
                           yFract="0.24878199"
                           z3="6.39745"
                           zFract="0.28791404"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36258"
                           xFract="0.75386019"
                           y3="4.2049"
                           yFract="0.4982109"
                           z3="4.25132"
                           zFract="0.19132853"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25652"
                           xFract="0.50432701"
                           y3="6.31737"
                           yFract="0.74850355"
                           z3="8.49273"
                           zFract="0.38221107"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27778"
                           xFract="0.50684597"
                           y3="4.17954"
                           yFract="0.49520616"
                           z3="6.41062"
                           zFract="0.28850675"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13305"
                           xFract="0.25273104"
                           y3="0.0174"
                           yFract="0.00206161"
                           z3="8.43974"
                           zFract="0.37982628"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33018"
                           xFract="0.75002133"
                           y3="0.05834"
                           yFract="0.00691232"
                           z3="8.50537"
                           zFract="0.38277993"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28765"
                           xFract="0.98194905"
                           y3="2.01917"
                           yFract="0.23923815"
                           z3="6.2132"
                           zFract="0.27962196"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14204"
                           xFract="0.25379621"
                           y3="8.42156"
                           yFract="0.99781517"
                           z3="6.30715"
                           zFract="0.28385014"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00324"
                           xFract="-0.00038389"
                           y3="0.00433"
                           yFract="0.00051303"
                           z3="4.24272"
                           zFract="0.19094149"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38786"
                           xFract="0.99382227"
                           y3="0.1280"
                           yFract="0.01516588"
                           z3="8.39408"
                           zFract="0.37777138"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14338"
                           xFract="0.25395498"
                           y3="2.11792"
                           yFract="0.25093839"
                           z3="4.29936"
                           zFract="0.19349055"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.91625"
                           xFract="0.22704384"
                           y3="2.06612"
                           yFract="0.24480095"
                           z3="8.48792"
                           zFract="0.3819946"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39252"
                           xFract="0.52044076"
                           y3="2.1168"
                           yFract="0.25080569"
                           z3="6.26687"
                           zFract="0.28203735"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32249"
                           xFract="0.74911019"
                           y3="8.34745"
                           yFract="0.98903436"
                           z3="6.30736"
                           zFract="0.28385959"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20904"
                           xFract="0.49870142"
                           y3="8.29494"
                           yFract="0.9828128"
                           z3="4.20867"
                           zFract="0.18940909"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28699"
                           xFract="0.5079372"
                           y3="0.02022"
                           yFract="0.00239573"
                           z3="8.46831"
                           zFract="0.38111206"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28025"
                           xFract="0.74410545"
                           y3="2.07389"
                           yFract="0.24572156"
                           z3="4.05883"
                           zFract="0.18266562"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60797"
                           xFract="0.78293483"
                           y3="2.15305"
                           yFract="0.25510071"
                           z3="8.83678"
                           zFract="0.39769487"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41327"
                           xFract="0.99683294"
                           y3="6.4494"
                           yFract="0.76414692"
                           z3="6.4035"
                           zFract="0.28818632"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96332"
                           xFract="0.23262085"
                           y3="4.26106"
                           yFract="0.50486493"
                           z3="6.4157"
                           zFract="0.28873537"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02769"
                           xFract="0.00328081"
                           y3="4.18455"
                           yFract="0.49579976"
                           z3="4.11322"
                           zFract="0.18511341"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.20977"
                           xFract="0.02485427"
                           y3="4.10932"
                           yFract="0.48688626"
                           z3="9.20882"
                           zFract="0.41443834"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19248"
                           xFract="0.25977251"
                           y3="6.32641"
                           yFract="0.74957464"
                           z3="4.27861"
                           zFract="0.19255671"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08206"
                           xFract="0.24668957"
                           y3="6.37426"
                           yFract="0.75524408"
                           z3="8.48257"
                           zFract="0.38175383"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2291"
                           xFract="0.5010782"
                           y3="6.3352"
                           yFract="0.75061611"
                           z3="6.2876"
                           zFract="0.2829703"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44256"
                           xFract="0.76333649"
                           y3="4.30176"
                           yFract="0.5096872"
                           z3="6.32452"
                           zFract="0.28463186"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19492"
                           xFract="0.49702844"
                           y3="4.38669"
                           yFract="0.51975"
                           z3="4.28203"
                           zFract="0.19271062"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13519"
                           xFract="0.48995142"
                           y3="4.19775"
                           yFract="0.49736374"
                           z3="8.52505"
                           zFract="0.38366562"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20448"
                           xFract="0.73512796"
                           y3="6.35863"
                           yFract="0.75339218"
                           z3="4.22882"
                           zFract="0.19031593"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40045"
                           xFract="0.75834716"
                           y3="6.24986"
                           yFract="0.74050474"
                           z3="8.47552"
                           zFract="0.38143654"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.64">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08077"
                           xFract="0.00956991"
                           y3="4.18113"
                           yFract="0.49539455"
                           z3="10.17224"
                           zFract="0.45779658"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00795"
                           xFract="-0.00094194"
                           y3="6.37571"
                           yFract="0.75541588"
                           z3="8.4871"
                           zFract="0.3819577"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33269"
                           xFract="0.75031872"
                           y3="0.01069"
                           yFract="0.00126659"
                           z3="4.24604"
                           zFract="0.19109091"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02561"
                           xFract="0.00303436"
                           y3="2.0721"
                           yFract="0.24550948"
                           z3="8.75966"
                           zFract="0.39422412"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34783"
                           xFract="0.75211256"
                           y3="6.32757"
                           yFract="0.74971209"
                           z3="6.37293"
                           zFract="0.28681053"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20675"
                           xFract="0.49843009"
                           y3="6.34652"
                           yFract="0.75195735"
                           z3="4.22605"
                           zFract="0.19019127"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41626"
                           xFract="0.9971872"
                           y3="0.04105"
                           yFract="0.00486374"
                           z3="6.34659"
                           zFract="0.28562511"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41386"
                           xFract="0.99690284"
                           y3="2.10102"
                           yFract="0.24893602"
                           z3="4.19301"
                           zFract="0.18870432"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12702"
                           xFract="0.25201659"
                           y3="4.17322"
                           yFract="0.49445735"
                           z3="8.45552"
                           zFract="0.38053645"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09573"
                           xFract="0.24830924"
                           y3="4.21207"
                           yFract="0.49906043"
                           z3="4.2557"
                           zFract="0.19152565"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07251"
                           xFract="0.24555806"
                           y3="6.34984"
                           yFract="0.75235071"
                           z3="6.36812"
                           zFract="0.28659406"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09205"
                           xFract="0.24787322"
                           y3="0.00956"
                           yFract="0.0011327"
                           z3="4.21798"
                           zFract="0.18982808"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24205"
                           xFract="0.50261256"
                           y3="0.04072"
                           yFract="0.00482464"
                           z3="6.32077"
                           zFract="0.2844631"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35853"
                           xFract="0.75338033"
                           y3="2.1105"
                           yFract="0.25005924"
                           z3="6.43339"
                           zFract="0.2895315"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.27903"
                           xFract="0.7439609"
                           y3="4.11951"
                           yFract="0.4880936"
                           z3="8.63521"
                           zFract="0.38862331"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28701"
                           xFract="0.50793957"
                           y3="2.12216"
                           yFract="0.25144076"
                           z3="8.58601"
                           zFract="0.38640909"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42156"
                           xFract="0.99781517"
                           y3="6.31601"
                           yFract="0.74834242"
                           z3="4.25599"
                           zFract="0.1915387"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41083"
                           xFract="0.99654384"
                           y3="4.19156"
                           yFract="0.49663033"
                           z3="6.36408"
                           zFract="0.28641224"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22448"
                           xFract="0.50053081"
                           y3="2.11756"
                           yFract="0.25089573"
                           z3="4.21054"
                           zFract="0.18949325"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.05006"
                           xFract="0.2428981"
                           y3="2.09963"
                           yFract="0.24877133"
                           z3="6.39721"
                           zFract="0.28790324"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36243"
                           xFract="0.75384242"
                           y3="4.20505"
                           yFract="0.49822867"
                           z3="4.25154"
                           zFract="0.19133843"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25707"
                           xFract="0.50439218"
                           y3="6.31708"
                           yFract="0.74846919"
                           z3="8.49273"
                           zFract="0.38221107"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2775"
                           xFract="0.5068128"
                           y3="4.17908"
                           yFract="0.49515166"
                           z3="6.41123"
                           zFract="0.2885342"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1331"
                           xFract="0.25273697"
                           y3="0.01694"
                           yFract="0.00200711"
                           z3="8.43921"
                           zFract="0.37980243"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33039"
                           xFract="0.75004621"
                           y3="0.05904"
                           yFract="0.00699526"
                           z3="8.50511"
                           zFract="0.38276823"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28771"
                           xFract="0.98195616"
                           y3="2.01983"
                           yFract="0.23931635"
                           z3="6.21295"
                           zFract="0.27961071"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14228"
                           xFract="0.25382464"
                           y3="8.42127"
                           yFract="0.99778081"
                           z3="6.30766"
                           zFract="0.28387309"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00353"
                           xFract="-0.00041825"
                           y3="0.00342"
                           yFract="0.00040521"
                           z3="4.24297"
                           zFract="0.19095275"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38824"
                           xFract="0.9938673"
                           y3="0.12962"
                           yFract="0.01535782"
                           z3="8.39468"
                           zFract="0.37779838"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14316"
                           xFract="0.25392891"
                           y3="2.11802"
                           yFract="0.25095024"
                           z3="4.29868"
                           zFract="0.19345995"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.91708"
                           xFract="0.22714218"
                           y3="2.06659"
                           yFract="0.24485664"
                           z3="8.48934"
                           zFract="0.38205851"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39264"
                           xFract="0.52045498"
                           y3="2.11677"
                           yFract="0.25080213"
                           z3="6.26733"
                           zFract="0.28205806"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32288"
                           xFract="0.7491564"
                           y3="8.3474"
                           yFract="0.98902844"
                           z3="6.30768"
                           zFract="0.28387399"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20919"
                           xFract="0.49871919"
                           y3="8.29505"
                           yFract="0.98282583"
                           z3="4.20854"
                           zFract="0.18940324"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28716"
                           xFract="0.50795735"
                           y3="0.02084"
                           yFract="0.00246919"
                           z3="8.46884"
                           zFract="0.38113591"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28019"
                           xFract="0.74409834"
                           y3="2.07368"
                           yFract="0.24569668"
                           z3="4.05855"
                           zFract="0.18265302"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60776"
                           xFract="0.78290995"
                           y3="2.15412"
                           yFract="0.25522749"
                           z3="8.83861"
                           zFract="0.39777723"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41308"
                           xFract="0.99681043"
                           y3="6.45012"
                           yFract="0.76423223"
                           z3="6.40379"
                           zFract="0.28819937"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96364"
                           xFract="0.23265877"
                           y3="4.26114"
                           yFract="0.50487441"
                           z3="6.41602"
                           zFract="0.28874977"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02774"
                           xFract="0.00328673"
                           y3="4.18504"
                           yFract="0.49585782"
                           z3="4.11331"
                           zFract="0.18511746"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.21032"
                           xFract="0.02491943"
                           y3="4.1076"
                           yFract="0.48668246"
                           z3="9.21237"
                           zFract="0.41459811"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19249"
                           xFract="0.2597737"
                           y3="6.3262"
                           yFract="0.74954976"
                           z3="4.27907"
                           zFract="0.19257741"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08137"
                           xFract="0.24660782"
                           y3="6.37393"
                           yFract="0.75520498"
                           z3="8.48295"
                           zFract="0.38177093"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2293"
                           xFract="0.5011019"
                           y3="6.33556"
                           yFract="0.75065877"
                           z3="6.28828"
                           zFract="0.2830009"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.44223"
                           xFract="0.76329739"
                           y3="4.3018"
                           yFract="0.50969194"
                           z3="6.32499"
                           zFract="0.28465302"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19485"
                           xFract="0.49702014"
                           y3="4.38631"
                           yFract="0.51970498"
                           z3="4.28216"
                           zFract="0.19271647"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13529"
                           xFract="0.48996327"
                           y3="4.19766"
                           yFract="0.49735308"
                           z3="8.5247"
                           zFract="0.38364986"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20425"
                           xFract="0.73510071"
                           y3="6.35867"
                           yFract="0.75339692"
                           z3="4.22892"
                           zFract="0.19032043"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40016"
                           xFract="0.7583128"
                           y3="6.24958"
                           yFract="0.74047156"
                           z3="8.47559"
                           zFract="0.38143969"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.65">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.0810"
                           xFract="0.00959716"
                           y3="4.18047"
                           yFract="0.49531635"
                           z3="10.17433"
                           zFract="0.45789064"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.00905"
                           xFract="-0.00107227"
                           y3="6.37621"
                           yFract="0.75547512"
                           z3="8.48772"
                           zFract="0.3819856"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33234"
                           xFract="0.75027725"
                           y3="0.01067"
                           yFract="0.00126422"
                           z3="4.24578"
                           zFract="0.19107921"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02751"
                           xFract="0.00325948"
                           y3="2.07173"
                           yFract="0.24546564"
                           z3="8.76379"
                           zFract="0.39440999"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34755"
                           xFract="0.75207938"
                           y3="6.32715"
                           yFract="0.74966232"
                           z3="6.37277"
                           zFract="0.28680333"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2067"
                           xFract="0.49842417"
                           y3="6.34402"
                           yFract="0.75166114"
                           z3="4.22634"
                           zFract="0.19020432"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41623"
                           xFract="0.99718365"
                           y3="0.04181"
                           yFract="0.00495379"
                           z3="6.34744"
                           zFract="0.28566337"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41371"
                           xFract="0.99688507"
                           y3="2.10085"
                           yFract="0.24891588"
                           z3="4.19109"
                           zFract="0.18861791"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12712"
                           xFract="0.25202844"
                           y3="4.17373"
                           yFract="0.49451777"
                           z3="8.45628"
                           zFract="0.38057066"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09603"
                           xFract="0.24834479"
                           y3="4.21235"
                           yFract="0.4990936"
                           z3="4.25575"
                           zFract="0.1915279"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07257"
                           xFract="0.24556517"
                           y3="6.34886"
                           yFract="0.7522346"
                           z3="6.36827"
                           zFract="0.28660081"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09227"
                           xFract="0.24789929"
                           y3="0.00909"
                           yFract="0.00107701"
                           z3="4.21857"
                           zFract="0.18985464"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24276"
                           xFract="0.50269668"
                           y3="0.04088"
                           yFract="0.0048436"
                           z3="6.32098"
                           zFract="0.28447255"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3585"
                           xFract="0.75337678"
                           y3="2.11083"
                           yFract="0.25009834"
                           z3="6.43255"
                           zFract="0.2894937"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.28092"
                           xFract="0.74418483"
                           y3="4.11996"
                           yFract="0.48814692"
                           z3="8.63569"
                           zFract="0.38864491"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2870"
                           xFract="0.50793839"
                           y3="2.12242"
                           yFract="0.25147156"
                           z3="8.58518"
                           zFract="0.38637174"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42194"
                           xFract="0.99786019"
                           y3="6.31576"
                           yFract="0.7483128"
                           z3="4.25683"
                           zFract="0.19157651"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.41035"
                           xFract="0.99648697"
                           y3="4.19007"
                           yFract="0.49645379"
                           z3="6.3650"
                           zFract="0.28645365"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22423"
                           xFract="0.50050118"
                           y3="2.11748"
                           yFract="0.25088626"
                           z3="4.21071"
                           zFract="0.1895009"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.04805"
                           xFract="0.24265995"
                           y3="2.09978"
                           yFract="0.2487891"
                           z3="6.39721"
                           zFract="0.28790324"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36196"
                           xFract="0.75378673"
                           y3="4.20528"
                           yFract="0.49825592"
                           z3="4.25211"
                           zFract="0.19136409"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.25822"
                           xFract="0.50452844"
                           y3="6.31694"
                           yFract="0.74845261"
                           z3="8.49255"
                           zFract="0.38220297"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27668"
                           xFract="0.50671564"
                           y3="4.17847"
                           yFract="0.49507938"
                           z3="6.41165"
                           zFract="0.28855311"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13337"
                           xFract="0.25276896"
                           y3="0.01673"
                           yFract="0.00198223"
                           z3="8.43834"
                           zFract="0.37976328"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3308"
                           xFract="0.75009479"
                           y3="0.06026"
                           yFract="0.00713981"
                           z3="8.50453"
                           zFract="0.38274212"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28783"
                           xFract="0.98197038"
                           y3="2.02161"
                           yFract="0.23952725"
                           z3="6.21213"
                           zFract="0.27957381"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14281"
                           xFract="0.25388744"
                           y3="8.4209"
                           yFract="0.99773697"
                           z3="6.30762"
                           zFract="0.28387129"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00367"
                           xFract="-0.00043483"
                           y3="0.00226"
                           yFract="0.00026777"
                           z3="4.2434"
                           zFract="0.1909721"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38889"
                           xFract="0.99394431"
                           y3="0.13167"
                           yFract="0.01560071"
                           z3="8.39533"
                           zFract="0.37782763"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14172"
                           xFract="0.25375829"
                           y3="2.11742"
                           yFract="0.25087915"
                           z3="4.2970"
                           zFract="0.19338434"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.91862"
                           xFract="0.22732464"
                           y3="2.06641"
                           yFract="0.24483531"
                           z3="8.49176"
                           zFract="0.38216742"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39273"
                           xFract="0.52046564"
                           y3="2.11604"
                           yFract="0.25071564"
                           z3="6.26781"
                           zFract="0.28207966"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32365"
                           xFract="0.74924763"
                           y3="8.34732"
                           yFract="0.98901896"
                           z3="6.30814"
                           zFract="0.28389469"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20937"
                           xFract="0.49874052"
                           y3="8.29636"
                           yFract="0.98298104"
                           z3="4.20825"
                           zFract="0.18939019"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2876"
                           xFract="0.50800948"
                           y3="0.02184"
                           yFract="0.00258768"
                           z3="8.46966"
                           zFract="0.38117282"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28102"
                           xFract="0.74419668"
                           y3="2.07328"
                           yFract="0.24564929"
                           z3="4.0581"
                           zFract="0.18263276"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60643"
                           xFract="0.78275237"
                           y3="2.15515"
                           yFract="0.25534953"
                           z3="8.84207"
                           zFract="0.39793294"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41255"
                           xFract="0.99674763"
                           y3="6.45134"
                           yFract="0.76437678"
                           z3="6.40421"
                           zFract="0.28821827"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96391"
                           xFract="0.23269076"
                           y3="4.26113"
                           yFract="0.50487322"
                           z3="6.41611"
                           zFract="0.28875383"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02752"
                           xFract="0.00326066"
                           y3="4.18589"
                           yFract="0.49595853"
                           z3="4.11362"
                           zFract="0.18513141"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.21231"
                           xFract="0.02515521"
                           y3="4.10389"
                           yFract="0.48624289"
                           z3="9.21438"
                           zFract="0.41468857"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19288"
                           xFract="0.25981991"
                           y3="6.32647"
                           yFract="0.74958175"
                           z3="4.27974"
                           zFract="0.19260756"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07976"
                           xFract="0.24641706"
                           y3="6.3729"
                           yFract="0.75508294"
                           z3="8.48343"
                           zFract="0.38179253"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22971"
                           xFract="0.50115047"
                           y3="6.3364"
                           yFract="0.75075829"
                           z3="6.28935"
                           zFract="0.28304905"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4415"
                           xFract="0.7632109"
                           y3="4.30208"
                           yFract="0.50972512"
                           z3="6.32563"
                           zFract="0.28468182"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19493"
                           xFract="0.49702962"
                           y3="4.38639"
                           yFract="0.51971445"
                           z3="4.28246"
                           zFract="0.19272997"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13637"
                           xFract="0.49009123"
                           y3="4.19797"
                           yFract="0.49738981"
                           z3="8.52394"
                           zFract="0.38361566"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20377"
                           xFract="0.73504384"
                           y3="6.35899"
                           yFract="0.75343483"
                           z3="4.22892"
                           zFract="0.19032043"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39988"
                           xFract="0.75827962"
                           y3="6.24932"
                           yFract="0.74044076"
                           z3="8.47545"
                           zFract="0.38143339"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.66">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08172"
                           xFract="0.00968246"
                           y3="4.17847"
                           yFract="0.49507938"
                           z3="10.1806"
                           zFract="0.45817282"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01236"
                           xFract="-0.00146445"
                           y3="6.37772"
                           yFract="0.75565403"
                           z3="8.4896"
                           zFract="0.38207021"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3313"
                           xFract="0.75015403"
                           y3="0.01061"
                           yFract="0.00125711"
                           z3="4.24498"
                           zFract="0.1910432"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0332"
                           xFract="0.00393365"
                           y3="2.07062"
                           yFract="0.24533412"
                           z3="8.77619"
                           zFract="0.39496805"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34669"
                           xFract="0.75197749"
                           y3="6.3259"
                           yFract="0.74951422"
                           z3="6.37229"
                           zFract="0.28678173"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20655"
                           xFract="0.4984064"
                           y3="6.33652"
                           yFract="0.75077251"
                           z3="4.22722"
                           zFract="0.19024392"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41614"
                           xFract="0.99717299"
                           y3="0.04409"
                           yFract="0.00522393"
                           z3="6.34999"
                           zFract="0.28577813"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41325"
                           xFract="0.99683057"
                           y3="2.10034"
                           yFract="0.24885545"
                           z3="4.18533"
                           zFract="0.18835869"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12745"
                           xFract="0.25206754"
                           y3="4.17527"
                           yFract="0.49470024"
                           z3="8.45855"
                           zFract="0.38067282"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09695"
                           xFract="0.24845379"
                           y3="4.21319"
                           yFract="0.49919313"
                           z3="4.25589"
                           zFract="0.1915342"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07276"
                           xFract="0.24558768"
                           y3="6.34589"
                           yFract="0.7518827"
                           z3="6.36871"
                           zFract="0.28662061"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09293"
                           xFract="0.24797749"
                           y3="0.00766"
                           yFract="0.00090758"
                           z3="4.22033"
                           zFract="0.18993384"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24491"
                           xFract="0.50295142"
                           y3="0.04134"
                           yFract="0.0048981"
                           z3="6.32161"
                           zFract="0.2845009"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35839"
                           xFract="0.75336374"
                           y3="2.11183"
                           yFract="0.25021682"
                           z3="6.43002"
                           zFract="0.28937984"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2866"
                           xFract="0.74485782"
                           y3="4.1213"
                           yFract="0.48830569"
                           z3="8.63712"
                           zFract="0.38870927"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28695"
                           xFract="0.50793246"
                           y3="2.12322"
                           yFract="0.25156635"
                           z3="8.58271"
                           zFract="0.38626058"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42308"
                           xFract="0.99799526"
                           y3="6.31498"
                           yFract="0.74822038"
                           z3="4.25936"
                           zFract="0.19169037"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40893"
                           xFract="0.99631872"
                           y3="4.18562"
                           yFract="0.49592654"
                           z3="6.36777"
                           zFract="0.28657831"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22347"
                           xFract="0.50041114"
                           y3="2.11724"
                           yFract="0.25085782"
                           z3="4.21123"
                           zFract="0.1895243"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0420"
                           xFract="0.24194313"
                           y3="2.10021"
                           yFract="0.24884005"
                           z3="6.39721"
                           zFract="0.28790324"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36057"
                           xFract="0.75362204"
                           y3="4.20595"
                           yFract="0.49833531"
                           z3="4.25382"
                           zFract="0.19144104"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.26167"
                           xFract="0.5049372"
                           y3="6.3165"
                           yFract="0.74840047"
                           z3="8.49199"
                           zFract="0.38217777"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27424"
                           xFract="0.50642654"
                           y3="4.17665"
                           yFract="0.49486374"
                           z3="6.41292"
                           zFract="0.28861026"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1342"
                           xFract="0.2528673"
                           y3="0.0161"
                           yFract="0.00190758"
                           z3="8.43574"
                           zFract="0.37964626"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33204"
                           xFract="0.75024171"
                           y3="0.06392"
                           yFract="0.00757346"
                           z3="8.50277"
                           zFract="0.38266292"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28821"
                           xFract="0.9820154"
                           y3="2.02698"
                           yFract="0.24016351"
                           z3="6.20967"
                           zFract="0.2794631"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14439"
                           xFract="0.25407464"
                           y3="8.41981"
                           yFract="0.99760782"
                           z3="6.30749"
                           zFract="0.28386544"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00408"
                           xFract="-0.00048341"
                           y3="-0.00121"
                           yFract="-0.00014336"
                           z3="4.2447"
                           zFract="0.1910306"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39083"
                           xFract="0.99417417"
                           y3="0.13781"
                           yFract="0.0163282"
                           z3="8.39726"
                           zFract="0.37791449"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13739"
                           xFract="0.25324526"
                           y3="2.1156"
                           yFract="0.25066351"
                           z3="4.29194"
                           zFract="0.19315662"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.92323"
                           xFract="0.22787085"
                           y3="2.06588"
                           yFract="0.24477251"
                           z3="8.49903"
                           zFract="0.3824946"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39302"
                           xFract="0.5205"
                           y3="2.11385"
                           yFract="0.25045616"
                           z3="6.26923"
                           zFract="0.28214356"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32596"
                           xFract="0.74952133"
                           y3="8.34708"
                           yFract="0.98899052"
                           z3="6.30953"
                           zFract="0.28395725"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2099"
                           xFract="0.49880332"
                           y3="8.30032"
                           yFract="0.98345024"
                           z3="4.20738"
                           zFract="0.18935104"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28891"
                           xFract="0.50816469"
                           y3="0.02482"
                           yFract="0.00294076"
                           z3="8.47209"
                           zFract="0.38128218"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28349"
                           xFract="0.74448934"
                           y3="2.07206"
                           yFract="0.24550474"
                           z3="4.05677"
                           zFract="0.18257291"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60244"
                           xFract="0.78227962"
                           y3="2.15824"
                           yFract="0.25571564"
                           z3="8.85245"
                           zFract="0.39840009"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41094"
                           xFract="0.99655687"
                           y3="6.45502"
                           yFract="0.7648128"
                           z3="6.40547"
                           zFract="0.28827498"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9647"
                           xFract="0.23278436"
                           y3="4.26111"
                           yFract="0.50487085"
                           z3="6.41639"
                           zFract="0.28876643"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02687"
                           xFract="0.00318365"
                           y3="4.18844"
                           yFract="0.49626066"
                           z3="4.11456"
                           zFract="0.18517372"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.21827"
                           xFract="0.02586137"
                           y3="4.09276"
                           yFract="0.48492417"
                           z3="9.22039"
                           zFract="0.41495905"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19404"
                           xFract="0.25995735"
                           y3="6.32729"
                           yFract="0.74967891"
                           z3="4.28175"
                           zFract="0.19269802"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07493"
                           xFract="0.24584479"
                           y3="6.36981"
                           yFract="0.75471682"
                           z3="8.48485"
                           zFract="0.38185644"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23094"
                           xFract="0.50129621"
                           y3="6.33891"
                           yFract="0.75105569"
                           z3="6.29256"
                           zFract="0.28319352"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43931"
                           xFract="0.76295142"
                           y3="4.30291"
                           yFract="0.50982346"
                           z3="6.32758"
                           zFract="0.28476958"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19518"
                           xFract="0.49705924"
                           y3="4.38662"
                           yFract="0.51974171"
                           z3="4.28333"
                           zFract="0.19276913"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1396"
                           xFract="0.49047393"
                           y3="4.19887"
                           yFract="0.49749645"
                           z3="8.52165"
                           zFract="0.3835126"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2023"
                           xFract="0.73486967"
                           y3="6.35996"
                           yFract="0.75354976"
                           z3="4.22891"
                           zFract="0.19031998"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39902"
                           xFract="0.75817773"
                           y3="6.24854"
                           yFract="0.74034834"
                           z3="8.47503"
                           zFract="0.38141449"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.67">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08314"
                           xFract="0.00985071"
                           y3="4.17447"
                           yFract="0.49460545"
                           z3="10.19314"
                           zFract="0.45873717"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01899"
                           xFract="-0.00225"
                           y3="6.38073"
                           yFract="0.75601066"
                           z3="8.49334"
                           zFract="0.38223852"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32921"
                           xFract="0.7499064"
                           y3="0.01049"
                           yFract="0.00124289"
                           z3="4.24339"
                           zFract="0.19097165"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.04458"
                           xFract="0.00528199"
                           y3="2.06839"
                           yFract="0.24506991"
                           z3="8.80097"
                           zFract="0.39608326"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34499"
                           xFract="0.75177607"
                           y3="6.3234"
                           yFract="0.74921801"
                           z3="6.37132"
                           zFract="0.28673807"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20625"
                           xFract="0.49837085"
                           y3="6.32151"
                           yFract="0.74899408"
                           z3="4.22897"
                           zFract="0.19032268"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41596"
                           xFract="0.99715166"
                           y3="0.04865"
                           yFract="0.00576422"
                           z3="6.35508"
                           zFract="0.2860072"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41234"
                           xFract="0.99672275"
                           y3="2.09932"
                           yFract="0.2487346"
                           z3="4.17382"
                           zFract="0.18784068"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12811"
                           xFract="0.25214573"
                           y3="4.17833"
                           yFract="0.4950628"
                           z3="8.46309"
                           zFract="0.38087714"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09877"
                           xFract="0.24866943"
                           y3="4.21486"
                           yFract="0.499391"
                           z3="4.25619"
                           zFract="0.1915477"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07314"
                           xFract="0.2456327"
                           y3="6.33996"
                           yFract="0.75118009"
                           z3="6.3696"
                           zFract="0.28666067"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09424"
                           xFract="0.2481327"
                           y3="0.00481"
                           yFract="0.00056991"
                           z3="4.22386"
                           zFract="0.19009271"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2492"
                           xFract="0.50345972"
                           y3="0.04227"
                           yFract="0.00500829"
                           z3="6.32286"
                           zFract="0.28455716"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35818"
                           xFract="0.75333886"
                           y3="2.11384"
                           yFract="0.25045498"
                           z3="6.42498"
                           zFract="0.28915302"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.29796"
                           xFract="0.74620379"
                           y3="4.12397"
                           yFract="0.48862204"
                           z3="8.63998"
                           zFract="0.38883798"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28685"
                           xFract="0.50792062"
                           y3="2.1248"
                           yFract="0.25175355"
                           z3="8.57776"
                           zFract="0.3860378"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42536"
                           xFract="0.9982654"
                           y3="6.31343"
                           yFract="0.74803673"
                           z3="4.26441"
                           zFract="0.19191764"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40609"
                           xFract="0.99598223"
                           y3="4.17671"
                           yFract="0.49487085"
                           z3="6.3733"
                           zFract="0.28682718"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22195"
                           xFract="0.50023104"
                           y3="2.11676"
                           yFract="0.25080095"
                           z3="4.21226"
                           zFract="0.18957066"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02991"
                           xFract="0.24051066"
                           y3="2.10108"
                           yFract="0.24894313"
                           z3="6.39721"
                           zFract="0.28790324"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35778"
                           xFract="0.75329147"
                           y3="4.20731"
                           yFract="0.49849645"
                           z3="4.25724"
                           zFract="0.19159496"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.26856"
                           xFract="0.50575355"
                           y3="6.31564"
                           yFract="0.74829858"
                           z3="8.49088"
                           zFract="0.38212781"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26935"
                           xFract="0.50584716"
                           y3="4.1730"
                           yFract="0.49443128"
                           z3="6.41545"
                           zFract="0.28872412"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13586"
                           xFract="0.25306398"
                           y3="0.01485"
                           yFract="0.00175948"
                           z3="8.43053"
                           zFract="0.37941179"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33451"
                           xFract="0.75053436"
                           y3="0.07124"
                           yFract="0.00844076"
                           z3="8.49926"
                           zFract="0.38250495"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28896"
                           xFract="0.98210427"
                           y3="2.0377"
                           yFract="0.24143365"
                           z3="6.20476"
                           zFract="0.27924212"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14757"
                           xFract="0.25445142"
                           y3="8.41764"
                           yFract="0.99735071"
                           z3="6.30724"
                           zFract="0.28385419"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00491"
                           xFract="-0.00058175"
                           y3="-0.00815"
                           yFract="-0.00096564"
                           z3="4.24729"
                           zFract="0.19114716"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39472"
                           xFract="0.99463507"
                           y3="0.1501"
                           yFract="0.01778436"
                           z3="8.40113"
                           zFract="0.37808866"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12874"
                           xFract="0.25222038"
                           y3="2.11198"
                           yFract="0.2502346"
                           z3="4.28183"
                           zFract="0.19270162"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93247"
                           xFract="0.22896564"
                           y3="2.06482"
                           yFract="0.24464692"
                           z3="8.51356"
                           zFract="0.38314851"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3936"
                           xFract="0.52056872"
                           y3="2.10946"
                           yFract="0.24993602"
                           z3="6.27207"
                           zFract="0.28227138"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33059"
                           xFract="0.75006991"
                           y3="8.3466"
                           yFract="0.98893365"
                           z3="6.31231"
                           zFract="0.28408236"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21097"
                           xFract="0.49893009"
                           y3="8.30822"
                           yFract="0.98438626"
                           z3="4.20565"
                           zFract="0.18927318"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29154"
                           xFract="0.5084763"
                           y3="0.03078"
                           yFract="0.00364692"
                           z3="8.47697"
                           zFract="0.3815018"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28844"
                           xFract="0.74507583"
                           y3="2.06963"
                           yFract="0.24521682"
                           z3="4.0541"
                           zFract="0.18245275"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.59447"
                           xFract="0.78133531"
                           y3="2.16442"
                           yFract="0.25644787"
                           z3="8.87321"
                           zFract="0.39933438"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40773"
                           xFract="0.99617654"
                           y3="6.46237"
                           yFract="0.76568365"
                           z3="6.40798"
                           zFract="0.28838794"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96628"
                           xFract="0.23297156"
                           y3="4.26107"
                           yFract="0.50486611"
                           z3="6.41696"
                           zFract="0.28879208"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02555"
                           xFract="0.00302725"
                           y3="4.19352"
                           yFract="0.49686256"
                           z3="4.11644"
                           zFract="0.18525833"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.23019"
                           xFract="0.0272737"
                           y3="4.07049"
                           yFract="0.48228555"
                           z3="9.23242"
                           zFract="0.41550045"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19638"
                           xFract="0.2602346"
                           y3="6.32893"
                           yFract="0.74987322"
                           z3="4.28577"
                           zFract="0.19287894"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06528"
                           xFract="0.24470142"
                           y3="6.36364"
                           yFract="0.75398578"
                           z3="8.48771"
                           zFract="0.38198515"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23341"
                           xFract="0.50158886"
                           y3="6.34393"
                           yFract="0.75165047"
                           z3="6.29898"
                           zFract="0.28348245"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43492"
                           xFract="0.76243128"
                           y3="4.30457"
                           yFract="0.51002014"
                           z3="6.33146"
                           zFract="0.28494419"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19566"
                           xFract="0.49711611"
                           y3="4.38707"
                           yFract="0.51979502"
                           z3="4.28509"
                           zFract="0.19284833"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14606"
                           xFract="0.49123934"
                           y3="4.20068"
                           yFract="0.4977109"
                           z3="8.51707"
                           zFract="0.38330648"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19938"
                           xFract="0.7345237"
                           y3="6.3619"
                           yFract="0.75377962"
                           z3="4.2289"
                           zFract="0.19031953"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39732"
                           xFract="0.7579763"
                           y3="6.24697"
                           yFract="0.74016232"
                           z3="8.47419"
                           zFract="0.38137669"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.68">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08227"
                           xFract="0.00974763"
                           y3="4.17692"
                           yFract="0.49489573"
                           z3="10.18545"
                           zFract="0.45839109"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01493"
                           xFract="-0.00176896"
                           y3="6.37888"
                           yFract="0.75579147"
                           z3="8.49104"
                           zFract="0.38213501"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33049"
                           xFract="0.75005806"
                           y3="0.01056"
                           yFract="0.00125118"
                           z3="4.24436"
                           zFract="0.1910153"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03761"
                           xFract="0.00445616"
                           y3="2.06975"
                           yFract="0.24523104"
                           z3="8.78578"
                           zFract="0.39539964"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34603"
                           xFract="0.75189929"
                           y3="6.32493"
                           yFract="0.74939929"
                           z3="6.37191"
                           zFract="0.28676463"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20643"
                           xFract="0.49839218"
                           y3="6.33071"
                           yFract="0.75008412"
                           z3="4.22789"
                           zFract="0.19027408"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41607"
                           xFract="0.99716469"
                           y3="0.04586"
                           yFract="0.00543365"
                           z3="6.35196"
                           zFract="0.28586679"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4129"
                           xFract="0.9967891"
                           y3="2.09995"
                           yFract="0.24880924"
                           z3="4.18087"
                           zFract="0.18815797"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12771"
                           xFract="0.25209834"
                           y3="4.17645"
                           yFract="0.49484005"
                           z3="8.4603"
                           zFract="0.38075158"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09765"
                           xFract="0.24853673"
                           y3="4.21384"
                           yFract="0.49927014"
                           z3="4.25601"
                           zFract="0.1915396"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07291"
                           xFract="0.24560545"
                           y3="6.34359"
                           yFract="0.75161019"
                           z3="6.36906"
                           zFract="0.28663636"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09343"
                           xFract="0.24803673"
                           y3="0.00656"
                           yFract="0.00077725"
                           z3="4.2217"
                           zFract="0.1899955"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24657"
                           xFract="0.5031481"
                           y3="0.0417"
                           yFract="0.00494076"
                           z3="6.32209"
                           zFract="0.2845225"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35831"
                           xFract="0.75335427"
                           y3="2.11261"
                           yFract="0.25030924"
                           z3="6.42807"
                           zFract="0.28929208"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.2910"
                           xFract="0.74537915"
                           y3="4.12233"
                           yFract="0.48842773"
                           z3="8.63822"
                           zFract="0.38875878"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28691"
                           xFract="0.50792773"
                           y3="2.12383"
                           yFract="0.25163863"
                           z3="8.58079"
                           zFract="0.38617417"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42396"
                           xFract="0.99809953"
                           y3="6.31438"
                           yFract="0.74814929"
                           z3="4.26132"
                           zFract="0.19177858"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40783"
                           xFract="0.99618839"
                           y3="4.18217"
                           yFract="0.49551777"
                           z3="6.36991"
                           zFract="0.28667462"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22288"
                           xFract="0.50034123"
                           y3="2.11706"
                           yFract="0.25083649"
                           z3="4.21163"
                           zFract="0.1895423"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03732"
                           xFract="0.24138863"
                           y3="2.10055"
                           yFract="0.24888033"
                           z3="6.39721"
                           zFract="0.28790324"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35949"
                           xFract="0.75349408"
                           y3="4.20648"
                           yFract="0.4983981"
                           z3="4.25515"
                           zFract="0.1915009"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.26434"
                           xFract="0.50525355"
                           y3="6.31617"
                           yFract="0.74836137"
                           z3="8.49156"
                           zFract="0.38215842"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27234"
                           xFract="0.50620142"
                           y3="4.17523"
                           yFract="0.4946955"
                           z3="6.4139"
                           zFract="0.28865437"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13484"
                           xFract="0.25294313"
                           y3="0.01562"
                           yFract="0.00185071"
                           z3="8.43372"
                           zFract="0.37955536"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3330"
                           xFract="0.75035545"
                           y3="0.06675"
                           yFract="0.00790877"
                           z3="8.50141"
                           zFract="0.38260171"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2885"
                           xFract="0.98204976"
                           y3="2.03113"
                           yFract="0.24065521"
                           z3="6.20777"
                           zFract="0.27937759"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14562"
                           xFract="0.25422038"
                           y3="8.41897"
                           yFract="0.99750829"
                           z3="6.3074"
                           zFract="0.28386139"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0044"
                           xFract="-0.00052133"
                           y3="-0.00389"
                           yFract="-0.0004609"
                           z3="4.2457"
                           zFract="0.19107561"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39233"
                           xFract="0.9943519"
                           y3="0.14257"
                           yFract="0.01689218"
                           z3="8.39876"
                           zFract="0.377982"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13404"
                           xFract="0.25284834"
                           y3="2.1142"
                           yFract="0.25049763"
                           z3="4.28803"
                           zFract="0.19298065"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.92681"
                           xFract="0.22829502"
                           y3="2.06547"
                           yFract="0.24472393"
                           z3="8.50465"
                           zFract="0.38274752"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39325"
                           xFract="0.52052725"
                           y3="2.11215"
                           yFract="0.25025474"
                           z3="6.27033"
                           zFract="0.28219307"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32775"
                           xFract="0.74973341"
                           y3="8.3469"
                           yFract="0.98896919"
                           z3="6.31061"
                           zFract="0.28400585"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21031"
                           xFract="0.4988519"
                           y3="8.30337"
                           yFract="0.98381161"
                           z3="4.20671"
                           zFract="0.18932088"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28993"
                           xFract="0.50828555"
                           y3="0.02713"
                           yFract="0.00321445"
                           z3="8.47398"
                           zFract="0.38136724"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28541"
                           xFract="0.74471682"
                           y3="2.07112"
                           yFract="0.24539336"
                           z3="4.05574"
                           zFract="0.18252655"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.59936"
                           xFract="0.78191469"
                           y3="2.16063"
                           yFract="0.25599882"
                           z3="8.86048"
                           zFract="0.39876148"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4097"
                           xFract="0.99640995"
                           y3="6.45786"
                           yFract="0.76514929"
                           z3="6.40644"
                           zFract="0.28831863"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96531"
                           xFract="0.23285664"
                           y3="4.2611"
                           yFract="0.50486967"
                           z3="6.41661"
                           zFract="0.28877633"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02636"
                           xFract="0.00312322"
                           y3="4.1904"
                           yFract="0.49649289"
                           z3="4.11529"
                           zFract="0.18520657"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.22288"
                           xFract="0.02640758"
                           y3="4.08414"
                           yFract="0.48390284"
                           z3="9.22505"
                           zFract="0.41516877"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19495"
                           xFract="0.26006517"
                           y3="6.32793"
                           yFract="0.74975474"
                           z3="4.2833"
                           zFract="0.19276778"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0712"
                           xFract="0.24540284"
                           y3="6.36742"
                           yFract="0.75443365"
                           z3="8.48596"
                           zFract="0.38190639"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2319"
                           xFract="0.50140995"
                           y3="6.34085"
                           yFract="0.75128555"
                           z3="6.29504"
                           zFract="0.28330513"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43761"
                           xFract="0.76275"
                           y3="4.30355"
                           yFract="0.50989929"
                           z3="6.32908"
                           zFract="0.28483708"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19536"
                           xFract="0.49708057"
                           y3="4.38679"
                           yFract="0.51976185"
                           z3="4.28401"
                           zFract="0.19279973"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1421"
                           xFract="0.49077014"
                           y3="4.19957"
                           yFract="0.49757938"
                           z3="8.51988"
                           zFract="0.38343294"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20117"
                           xFract="0.73473578"
                           y3="6.36071"
                           yFract="0.75363863"
                           z3="4.22891"
                           zFract="0.19031998"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39836"
                           xFract="0.75809953"
                           y3="6.24793"
                           yFract="0.74027607"
                           z3="8.4747"
                           zFract="0.38139964"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.69">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08239"
                           xFract="0.00976185"
                           y3="4.17487"
                           yFract="0.49465284"
                           z3="10.19036"
                           zFract="0.45861206"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01646"
                           xFract="-0.00195024"
                           y3="6.37998"
                           yFract="0.7559218"
                           z3="8.49139"
                           zFract="0.38215077"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32979"
                           xFract="0.74997512"
                           y3="0.0101"
                           yFract="0.00119668"
                           z3="4.2442"
                           zFract="0.1910081"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03788"
                           xFract="0.00448815"
                           y3="2.0724"
                           yFract="0.24554502"
                           z3="8.79268"
                           zFract="0.39571017"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34656"
                           xFract="0.75196209"
                           y3="6.32574"
                           yFract="0.74949526"
                           z3="6.37229"
                           zFract="0.28678173"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20591"
                           xFract="0.49833057"
                           y3="6.3345"
                           yFract="0.75053318"
                           z3="4.2289"
                           zFract="0.19031953"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41674"
                           xFract="0.99724408"
                           y3="0.04839"
                           yFract="0.00573341"
                           z3="6.35505"
                           zFract="0.28600585"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41265"
                           xFract="0.99675948"
                           y3="2.10003"
                           yFract="0.24881872"
                           z3="4.1816"
                           zFract="0.18819082"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12714"
                           xFract="0.25203081"
                           y3="4.17737"
                           yFract="0.49494905"
                           z3="8.46291"
                           zFract="0.38086904"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09711"
                           xFract="0.24847275"
                           y3="4.21367"
                           yFract="0.49925"
                           z3="4.2561"
                           zFract="0.19154365"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07248"
                           xFract="0.2455545"
                           y3="6.34271"
                           yFract="0.75150592"
                           z3="6.37049"
                           zFract="0.28670072"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09445"
                           xFract="0.24815758"
                           y3="0.00568"
                           yFract="0.00067299"
                           z3="4.22229"
                           zFract="0.19002205"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24743"
                           xFract="0.50325"
                           y3="0.04156"
                           yFract="0.00492417"
                           z3="6.32241"
                           zFract="0.2845369"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35942"
                           xFract="0.75348578"
                           y3="2.11344"
                           yFract="0.25040758"
                           z3="6.42648"
                           zFract="0.28922052"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.29472"
                           xFract="0.74581991"
                           y3="4.12369"
                           yFract="0.48858886"
                           z3="8.63894"
                           zFract="0.38879118"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28644"
                           xFract="0.50787204"
                           y3="2.12422"
                           yFract="0.25168483"
                           z3="8.5800"
                           zFract="0.38613861"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4243"
                           xFract="0.99813981"
                           y3="6.31349"
                           yFract="0.74804384"
                           z3="4.26231"
                           zFract="0.19182313"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40723"
                           xFract="0.9961173"
                           y3="4.18059"
                           yFract="0.49533057"
                           z3="6.37172"
                           zFract="0.28675608"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22217"
                           xFract="0.50025711"
                           y3="2.11645"
                           yFract="0.25076422"
                           z3="4.21183"
                           zFract="0.18955131"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03473"
                           xFract="0.24108175"
                           y3="2.1006"
                           yFract="0.24888626"
                           z3="6.39801"
                           zFract="0.28793924"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35954"
                           xFract="0.7535"
                           y3="4.20641"
                           yFract="0.49838981"
                           z3="4.2561"
                           zFract="0.19154365"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.26578"
                           xFract="0.50542417"
                           y3="6.31694"
                           yFract="0.74845261"
                           z3="8.49104"
                           zFract="0.38213501"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27065"
                           xFract="0.50600118"
                           y3="4.17439"
                           yFract="0.49459597"
                           z3="6.4141"
                           zFract="0.28866337"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13615"
                           xFract="0.25309834"
                           y3="0.01523"
                           yFract="0.0018045"
                           z3="8.43285"
                           zFract="0.3795162"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33381"
                           xFract="0.75045142"
                           y3="0.0703"
                           yFract="0.00832938"
                           z3="8.50069"
                           zFract="0.38256931"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2883"
                           xFract="0.98202607"
                           y3="2.03378"
                           yFract="0.24096919"
                           z3="6.20535"
                           zFract="0.27926868"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14638"
                           xFract="0.25431043"
                           y3="8.41933"
                           yFract="0.99755095"
                           z3="6.3068"
                           zFract="0.28383438"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00404"
                           xFract="-0.00047867"
                           y3="-0.00495"
                           yFract="-0.00058649"
                           z3="4.24643"
                           zFract="0.19110846"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3929"
                           xFract="0.99441943"
                           y3="0.14412"
                           yFract="0.01707583"
                           z3="8.39975"
                           zFract="0.37802655"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13047"
                           xFract="0.25242536"
                           y3="2.11318"
                           yFract="0.25037678"
                           z3="4.28505"
                           zFract="0.19284653"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.92959"
                           xFract="0.22862441"
                           y3="2.06364"
                           yFract="0.24450711"
                           z3="8.50792"
                           zFract="0.38289469"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39297"
                           xFract="0.52049408"
                           y3="2.11087"
                           yFract="0.25010308"
                           z3="6.27001"
                           zFract="0.28217867"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32855"
                           xFract="0.7498282"
                           y3="8.34695"
                           yFract="0.98897512"
                           z3="6.31099"
                           zFract="0.28402295"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21053"
                           xFract="0.49887796"
                           y3="8.30335"
                           yFract="0.98380924"
                           z3="4.20674"
                           zFract="0.18932223"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29089"
                           xFract="0.50839929"
                           y3="0.02735"
                           yFract="0.00324052"
                           z3="8.47453"
                           zFract="0.38139199"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28762"
                           xFract="0.74497867"
                           y3="2.07121"
                           yFract="0.24540403"
                           z3="4.05527"
                           zFract="0.1825054"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60119"
                           xFract="0.78213152"
                           y3="2.16063"
                           yFract="0.25599882"
                           z3="8.8665"
                           zFract="0.3990324"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40887"
                           xFract="0.99631161"
                           y3="6.45886"
                           yFract="0.76526777"
                           z3="6.40755"
                           zFract="0.28836859"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96521"
                           xFract="0.23284479"
                           y3="4.26005"
                           yFract="0.50474526"
                           z3="6.41632"
                           zFract="0.28876328"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02549"
                           xFract="0.00302014"
                           y3="4.19188"
                           yFract="0.49666825"
                           z3="4.11576"
                           zFract="0.18522772"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.22626"
                           xFract="0.02680806"
                           y3="4.07689"
                           yFract="0.48304384"
                           z3="9.22899"
                           zFract="0.41534608"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19626"
                           xFract="0.26022038"
                           y3="6.32754"
                           yFract="0.74970853"
                           z3="4.28382"
                           zFract="0.19279118"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06823"
                           xFract="0.24505095"
                           y3="6.3657"
                           yFract="0.75422986"
                           z3="8.4861"
                           zFract="0.38191269"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23222"
                           xFract="0.50144787"
                           y3="6.34098"
                           yFract="0.75130095"
                           z3="6.2964"
                           zFract="0.28336634"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43618"
                           xFract="0.76258057"
                           y3="4.3039"
                           yFract="0.50994076"
                           z3="6.32944"
                           zFract="0.28485329"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19551"
                           xFract="0.49709834"
                           y3="4.38407"
                           yFract="0.51943957"
                           z3="4.28516"
                           zFract="0.19285149"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14415"
                           xFract="0.49101303"
                           y3="4.2008"
                           yFract="0.49772512"
                           z3="8.51866"
                           zFract="0.38337804"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20018"
                           xFract="0.73461848"
                           y3="6.36031"
                           yFract="0.75359123"
                           z3="4.22878"
                           zFract="0.19031413"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39925"
                           xFract="0.75820498"
                           y3="6.24737"
                           yFract="0.74020972"
                           z3="8.47469"
                           zFract="0.38139919"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.70">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08262"
                           xFract="0.0097891"
                           y3="4.17072"
                           yFract="0.49416114"
                           z3="10.20027"
                           zFract="0.45905806"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.01956"
                           xFract="-0.00231754"
                           y3="6.3822"
                           yFract="0.75618483"
                           z3="8.49208"
                           zFract="0.38218182"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32838"
                           xFract="0.74980806"
                           y3="0.00915"
                           yFract="0.00108412"
                           z3="4.24386"
                           zFract="0.1909928"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03843"
                           xFract="0.00455332"
                           y3="2.07774"
                           yFract="0.24617773"
                           z3="8.80661"
                           zFract="0.39633708"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34763"
                           xFract="0.75208886"
                           y3="6.32736"
                           yFract="0.7496872"
                           z3="6.37306"
                           zFract="0.28681638"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20485"
                           xFract="0.49820498"
                           y3="6.34216"
                           yFract="0.75144076"
                           z3="4.23094"
                           zFract="0.19041134"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41809"
                           xFract="0.99740403"
                           y3="0.05351"
                           yFract="0.00634005"
                           z3="6.36129"
                           zFract="0.28628668"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41214"
                           xFract="0.99669905"
                           y3="2.10019"
                           yFract="0.24883768"
                           z3="4.18307"
                           zFract="0.18825698"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1260"
                           xFract="0.25189573"
                           y3="4.17921"
                           yFract="0.49516706"
                           z3="8.46817"
                           zFract="0.38110576"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09602"
                           xFract="0.2483436"
                           y3="4.21334"
                           yFract="0.4992109"
                           z3="4.25627"
                           zFract="0.19155131"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07161"
                           xFract="0.24545142"
                           y3="6.34092"
                           yFract="0.75129384"
                           z3="6.37339"
                           zFract="0.28683123"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09649"
                           xFract="0.24839929"
                           y3="0.0039"
                           yFract="0.00046209"
                           z3="4.2235"
                           zFract="0.19007651"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24917"
                           xFract="0.50345616"
                           y3="0.04127"
                           yFract="0.00488981"
                           z3="6.32306"
                           zFract="0.28456616"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36167"
                           xFract="0.75375237"
                           y3="2.1151"
                           yFract="0.25060427"
                           z3="6.42325"
                           zFract="0.28907516"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.30224"
                           xFract="0.7467109"
                           y3="4.12644"
                           yFract="0.48891469"
                           z3="8.64039"
                           zFract="0.38885644"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28548"
                           xFract="0.50775829"
                           y3="2.12501"
                           yFract="0.25177844"
                           z3="8.57838"
                           zFract="0.38606571"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42499"
                           xFract="0.99822156"
                           y3="6.31168"
                           yFract="0.74782938"
                           z3="4.26431"
                           zFract="0.19191314"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4060"
                           xFract="0.99597156"
                           y3="4.17739"
                           yFract="0.49495142"
                           z3="6.37537"
                           zFract="0.28692034"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22072"
                           xFract="0.50008531"
                           y3="2.11523"
                           yFract="0.25061967"
                           z3="4.21222"
                           zFract="0.18956886"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0295"
                           xFract="0.24046209"
                           y3="2.1007"
                           yFract="0.2488981"
                           z3="6.39962"
                           zFract="0.2880117"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35966"
                           xFract="0.75351422"
                           y3="4.20628"
                           yFract="0.49837441"
                           z3="4.25802"
                           zFract="0.19163006"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2687"
                           xFract="0.50577014"
                           y3="6.3185"
                           yFract="0.74863744"
                           z3="8.48998"
                           zFract="0.38208731"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26724"
                           xFract="0.50559716"
                           y3="4.17269"
                           yFract="0.49439455"
                           z3="6.4145"
                           zFract="0.28868137"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13879"
                           xFract="0.25341114"
                           y3="0.01444"
                           yFract="0.0017109"
                           z3="8.43109"
                           zFract="0.37943699"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33546"
                           xFract="0.75064692"
                           y3="0.07747"
                           yFract="0.00917891"
                           z3="8.49923"
                           zFract="0.3825036"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28788"
                           xFract="0.9819763"
                           y3="2.03914"
                           yFract="0.24160427"
                           z3="6.20047"
                           zFract="0.27904905"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14793"
                           xFract="0.25449408"
                           y3="8.42007"
                           yFract="0.99763863"
                           z3="6.30559"
                           zFract="0.28377993"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00333"
                           xFract="-0.00039455"
                           y3="-0.00709"
                           yFract="-0.00084005"
                           z3="4.24791"
                           zFract="0.19117507"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39404"
                           xFract="0.9945545"
                           y3="0.14726"
                           yFract="0.01744787"
                           z3="8.40174"
                           zFract="0.37811611"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12325"
                           xFract="0.25156991"
                           y3="2.11111"
                           yFract="0.25013152"
                           z3="4.27903"
                           zFract="0.19257561"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93522"
                           xFract="0.22929147"
                           y3="2.05996"
                           yFract="0.24407109"
                           z3="8.51452"
                           zFract="0.38319172"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39242"
                           xFract="0.52042891"
                           y3="2.10827"
                           yFract="0.24979502"
                           z3="6.26938"
                           zFract="0.28215032"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33016"
                           xFract="0.75001896"
                           y3="8.34706"
                           yFract="0.98898815"
                           z3="6.31178"
                           zFract="0.28405851"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21097"
                           xFract="0.49893009"
                           y3="8.3033"
                           yFract="0.98380332"
                           z3="4.20678"
                           zFract="0.18932403"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29282"
                           xFract="0.50862796"
                           y3="0.0278"
                           yFract="0.00329384"
                           z3="8.47564"
                           zFract="0.38144194"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29209"
                           xFract="0.74550829"
                           y3="2.07139"
                           yFract="0.24542536"
                           z3="4.05434"
                           zFract="0.18246355"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60489"
                           xFract="0.78256991"
                           y3="2.16063"
                           yFract="0.25599882"
                           z3="8.87866"
                           zFract="0.39957966"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4072"
                           xFract="0.99611374"
                           y3="6.46087"
                           yFract="0.76550592"
                           z3="6.40978"
                           zFract="0.28846895"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9650"
                           xFract="0.23281991"
                           y3="4.25793"
                           yFract="0.50449408"
                           z3="6.41573"
                           zFract="0.28873672"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02375"
                           xFract="0.00281398"
                           y3="4.19485"
                           yFract="0.49702014"
                           z3="4.11672"
                           zFract="0.18527093"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.23308"
                           xFract="0.02761611"
                           y3="4.06225"
                           yFract="0.48130924"
                           z3="9.23696"
                           zFract="0.41570477"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1989"
                           xFract="0.26053318"
                           y3="6.32675"
                           yFract="0.74961493"
                           z3="4.28487"
                           zFract="0.19283843"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06224"
                           xFract="0.24434123"
                           y3="6.36222"
                           yFract="0.75381754"
                           z3="8.4864"
                           zFract="0.38192619"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23288"
                           xFract="0.50152607"
                           y3="6.34123"
                           yFract="0.75133057"
                           z3="6.29915"
                           zFract="0.2834901"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43331"
                           xFract="0.76224052"
                           y3="4.3046"
                           yFract="0.5100237"
                           z3="6.33018"
                           zFract="0.28488659"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19579"
                           xFract="0.49713152"
                           y3="4.37856"
                           yFract="0.51878673"
                           z3="4.28748"
                           zFract="0.1929559"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1483"
                           xFract="0.49150474"
                           y3="4.20327"
                           yFract="0.49801777"
                           z3="8.51619"
                           zFract="0.38326688"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19818"
                           xFract="0.73438152"
                           y3="6.35952"
                           yFract="0.75349763"
                           z3="4.22852"
                           zFract="0.19030243"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40103"
                           xFract="0.75841588"
                           y3="6.24623"
                           yFract="0.74007464"
                           z3="8.47466"
                           zFract="0.38139784"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.71">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08352"
                           xFract="0.00989573"
                           y3="4.16744"
                           yFract="0.49377251"
                           z3="10.20056"
                           zFract="0.45907111"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02069"
                           xFract="-0.00245142"
                           y3="6.38387"
                           yFract="0.7563827"
                           z3="8.49192"
                           zFract="0.38217462"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3287"
                           xFract="0.74984597"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="4.24403"
                           zFract="0.19100045"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03963"
                           xFract="0.0046955"
                           y3="2.07853"
                           yFract="0.24627133"
                           z3="8.81236"
                           zFract="0.39659586"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34839"
                           xFract="0.75217891"
                           y3="6.32826"
                           yFract="0.74979384"
                           z3="6.37368"
                           zFract="0.28684428"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20486"
                           xFract="0.49820616"
                           y3="6.34379"
                           yFract="0.75163389"
                           z3="4.23181"
                           zFract="0.1904505"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41896"
                           xFract="0.99750711"
                           y3="0.05583"
                           yFract="0.00661493"
                           z3="6.3633"
                           zFract="0.28637714"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41217"
                           xFract="0.99670261"
                           y3="2.10013"
                           yFract="0.24883057"
                           z3="4.18448"
                           zFract="0.18832043"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12668"
                           xFract="0.2519763"
                           y3="4.17967"
                           yFract="0.49522156"
                           z3="8.47058"
                           zFract="0.38121422"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09539"
                           xFract="0.24826896"
                           y3="4.21266"
                           yFract="0.49913033"
                           z3="4.2563"
                           zFract="0.19155266"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0708"
                           xFract="0.24535545"
                           y3="6.3407"
                           yFract="0.75126777"
                           z3="6.37494"
                           zFract="0.28690099"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09675"
                           xFract="0.24843009"
                           y3="0.00342"
                           yFract="0.00040521"
                           z3="4.22359"
                           zFract="0.19008056"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24969"
                           xFract="0.50351777"
                           y3="0.04109"
                           yFract="0.00486848"
                           z3="6.32356"
                           zFract="0.28458866"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36194"
                           xFract="0.75378436"
                           y3="2.11602"
                           yFract="0.25071327"
                           z3="6.42153"
                           zFract="0.28899775"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.30567"
                           xFract="0.7471173"
                           y3="4.12758"
                           yFract="0.48904976"
                           z3="8.64076"
                           zFract="0.38887309"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28479"
                           xFract="0.50767654"
                           y3="2.12559"
                           yFract="0.25184716"
                           z3="8.57798"
                           zFract="0.3860477"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42499"
                           xFract="0.99822156"
                           y3="6.31114"
                           yFract="0.7477654"
                           z3="4.26495"
                           zFract="0.19194194"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40528"
                           xFract="0.99588626"
                           y3="4.1769"
                           yFract="0.49489336"
                           z3="6.37714"
                           zFract="0.2870"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21995"
                           xFract="0.49999408"
                           y3="2.11474"
                           yFract="0.25056161"
                           z3="4.21235"
                           zFract="0.18957471"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02797"
                           xFract="0.24028081"
                           y3="2.10046"
                           yFract="0.24886967"
                           z3="6.4006"
                           zFract="0.28805581"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35954"
                           xFract="0.7535"
                           y3="4.20617"
                           yFract="0.49836137"
                           z3="4.25863"
                           zFract="0.19165752"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.26996"
                           xFract="0.50591943"
                           y3="6.31952"
                           yFract="0.74875829"
                           z3="8.48937"
                           zFract="0.38205986"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26573"
                           xFract="0.50541825"
                           y3="4.17198"
                           yFract="0.49431043"
                           z3="6.41412"
                           zFract="0.28866427"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14019"
                           xFract="0.25357701"
                           y3="0.01395"
                           yFract="0.00165284"
                           z3="8.4310"
                           zFract="0.37943294"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33619"
                           xFract="0.75073341"
                           y3="0.0818"
                           yFract="0.00969194"
                           z3="8.49899"
                           zFract="0.3824928"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28771"
                           xFract="0.98195616"
                           y3="2.04099"
                           yFract="0.24182346"
                           z3="6.19931"
                           zFract="0.27899685"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14859"
                           xFract="0.25457227"
                           y3="8.42074"
                           yFract="0.99771801"
                           z3="6.30543"
                           zFract="0.28377273"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0030"
                           xFract="-0.00035545"
                           y3="-0.00795"
                           yFract="-0.00094194"
                           z3="4.24884"
                           zFract="0.19121692"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3942"
                           xFract="0.99457346"
                           y3="0.14849"
                           yFract="0.0175936"
                           z3="8.4031"
                           zFract="0.37817732"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11996"
                           xFract="0.25118009"
                           y3="2.11047"
                           yFract="0.25005569"
                           z3="4.27655"
                           zFract="0.192464"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93675"
                           xFract="0.22947275"
                           y3="2.05854"
                           yFract="0.24390284"
                           z3="8.51724"
                           zFract="0.38331413"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39258"
                           xFract="0.52044787"
                           y3="2.10726"
                           yFract="0.24967536"
                           z3="6.26872"
                           zFract="0.28212061"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33051"
                           xFract="0.75006043"
                           y3="8.34754"
                           yFract="0.98904502"
                           z3="6.31193"
                           zFract="0.28406526"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21107"
                           xFract="0.49894194"
                           y3="8.30381"
                           yFract="0.98386374"
                           z3="4.20716"
                           zFract="0.18934113"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29389"
                           xFract="0.50875474"
                           y3="0.02683"
                           yFract="0.00317891"
                           z3="8.47558"
                           zFract="0.38143924"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2941"
                           xFract="0.74574645"
                           y3="2.07162"
                           yFract="0.24545261"
                           z3="4.05392"
                           zFract="0.18244464"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60822"
                           xFract="0.78296445"
                           y3="2.16133"
                           yFract="0.25608175"
                           z3="8.88476"
                           zFract="0.39985419"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40683"
                           xFract="0.99606991"
                           y3="6.46119"
                           yFract="0.76554384"
                           z3="6.41108"
                           zFract="0.28852745"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96441"
                           xFract="0.23275"
                           y3="4.25627"
                           yFract="0.50429739"
                           z3="6.41613"
                           zFract="0.28875473"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02298"
                           xFract="0.00272275"
                           y3="4.19645"
                           yFract="0.49720972"
                           z3="4.11703"
                           zFract="0.18528488"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.23464"
                           xFract="0.02780095"
                           y3="4.05624"
                           yFract="0.48059716"
                           z3="9.24745"
                           zFract="0.41617687"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20032"
                           xFract="0.26070142"
                           y3="6.3263"
                           yFract="0.74956161"
                           z3="4.28525"
                           zFract="0.19285554"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05952"
                           xFract="0.24401896"
                           y3="6.36102"
                           yFract="0.75367536"
                           z3="8.48635"
                           zFract="0.38192394"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2328"
                           xFract="0.50151659"
                           y3="6.34132"
                           yFract="0.75134123"
                           z3="6.30016"
                           zFract="0.28353555"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43244"
                           xFract="0.76213744"
                           y3="4.30499"
                           yFract="0.51006991"
                           z3="6.33048"
                           zFract="0.28490009"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19565"
                           xFract="0.49711493"
                           y3="4.37673"
                           yFract="0.51856991"
                           z3="4.28863"
                           zFract="0.19300765"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14952"
                           xFract="0.49164929"
                           y3="4.20485"
                           yFract="0.49820498"
                           z3="8.51535"
                           zFract="0.38322907"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1969"
                           xFract="0.73422986"
                           y3="6.35931"
                           yFract="0.75347275"
                           z3="4.22855"
                           zFract="0.19030378"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40293"
                           xFract="0.758641"
                           y3="6.24545"
                           yFract="0.73998223"
                           z3="8.47508"
                           zFract="0.38141674"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.72">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08356"
                           xFract="0.00990047"
                           y3="4.16733"
                           yFract="0.49375948"
                           z3="10.20057"
                           zFract="0.45907156"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02073"
                           xFract="-0.00245616"
                           y3="6.38393"
                           yFract="0.75638981"
                           z3="8.49191"
                           zFract="0.38217417"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32871"
                           xFract="0.74984716"
                           y3="0.0087"
                           yFract="0.00103081"
                           z3="4.24404"
                           zFract="0.1910009"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.03967"
                           xFract="0.00470024"
                           y3="2.07856"
                           yFract="0.24627488"
                           z3="8.81256"
                           zFract="0.39660486"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34842"
                           xFract="0.75218246"
                           y3="6.32829"
                           yFract="0.74979739"
                           z3="6.3737"
                           zFract="0.28684518"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20486"
                           xFract="0.49820616"
                           y3="6.34385"
                           yFract="0.751641"
                           z3="4.23185"
                           zFract="0.1904523"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41899"
                           xFract="0.99751066"
                           y3="0.05591"
                           yFract="0.00662441"
                           z3="6.36338"
                           zFract="0.28638074"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41218"
                           xFract="0.99670379"
                           y3="2.10013"
                           yFract="0.24883057"
                           z3="4.18453"
                           zFract="0.18832268"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1267"
                           xFract="0.25197867"
                           y3="4.17969"
                           yFract="0.49522393"
                           z3="8.47067"
                           zFract="0.38121827"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09536"
                           xFract="0.2482654"
                           y3="4.21264"
                           yFract="0.49912796"
                           z3="4.2563"
                           zFract="0.19155266"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07077"
                           xFract="0.2453519"
                           y3="6.34069"
                           yFract="0.75126659"
                           z3="6.37499"
                           zFract="0.28690324"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09676"
                           xFract="0.24843128"
                           y3="0.00341"
                           yFract="0.00040403"
                           z3="4.22359"
                           zFract="0.19008056"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2497"
                           xFract="0.50351896"
                           y3="0.04108"
                           yFract="0.0048673"
                           z3="6.32358"
                           zFract="0.28458956"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36195"
                           xFract="0.75378555"
                           y3="2.11606"
                           yFract="0.25071801"
                           z3="6.42147"
                           zFract="0.28899505"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.30579"
                           xFract="0.74713152"
                           y3="4.12762"
                           yFract="0.4890545"
                           z3="8.64077"
                           zFract="0.38887354"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28477"
                           xFract="0.50767417"
                           y3="2.12561"
                           yFract="0.25184953"
                           z3="8.57797"
                           zFract="0.38604725"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42499"
                           xFract="0.99822156"
                           y3="6.31112"
                           yFract="0.74776303"
                           z3="4.26497"
                           zFract="0.19194284"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40525"
                           xFract="0.9958827"
                           y3="4.17689"
                           yFract="0.49489218"
                           z3="6.3772"
                           zFract="0.2870027"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21992"
                           xFract="0.49999052"
                           y3="2.11472"
                           yFract="0.25055924"
                           z3="4.21235"
                           zFract="0.18957471"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02792"
                           xFract="0.24027488"
                           y3="2.10045"
                           yFract="0.24886848"
                           z3="6.40063"
                           zFract="0.28805716"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35953"
                           xFract="0.75349882"
                           y3="4.20616"
                           yFract="0.49836019"
                           z3="4.25865"
                           zFract="0.19165842"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2700"
                           xFract="0.50592417"
                           y3="6.31956"
                           yFract="0.74876303"
                           z3="8.48935"
                           zFract="0.38205896"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26567"
                           xFract="0.50541114"
                           y3="4.17196"
                           yFract="0.49430806"
                           z3="6.41411"
                           zFract="0.28866382"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14024"
                           xFract="0.25358294"
                           y3="0.01394"
                           yFract="0.00165166"
                           z3="8.4310"
                           zFract="0.37943294"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33622"
                           xFract="0.75073697"
                           y3="0.08196"
                           yFract="0.0097109"
                           z3="8.49899"
                           zFract="0.3824928"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2877"
                           xFract="0.98195498"
                           y3="2.04106"
                           yFract="0.24183175"
                           z3="6.19926"
                           zFract="0.2789946"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14862"
                           xFract="0.25457583"
                           y3="8.42076"
                           yFract="0.99772038"
                           z3="6.30542"
                           zFract="0.28377228"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00299"
                           xFract="-0.00035427"
                           y3="-0.00798"
                           yFract="-0.0009455"
                           z3="4.24888"
                           zFract="0.19121872"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3942"
                           xFract="0.99457346"
                           y3="0.14854"
                           yFract="0.01759953"
                           z3="8.40315"
                           zFract="0.37817957"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11985"
                           xFract="0.25116706"
                           y3="2.11045"
                           yFract="0.25005332"
                           z3="4.27647"
                           zFract="0.1924604"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9368"
                           xFract="0.22947867"
                           y3="2.05849"
                           yFract="0.24389692"
                           z3="8.51734"
                           zFract="0.38331863"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39259"
                           xFract="0.52044905"
                           y3="2.10722"
                           yFract="0.24967062"
                           z3="6.2687"
                           zFract="0.28211971"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33053"
                           xFract="0.7500628"
                           y3="8.34756"
                           yFract="0.98904739"
                           z3="6.31194"
                           zFract="0.28406571"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21107"
                           xFract="0.49894194"
                           y3="8.30383"
                           yFract="0.98386611"
                           z3="4.20717"
                           zFract="0.18934158"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29393"
                           xFract="0.50875948"
                           y3="0.0268"
                           yFract="0.00317536"
                           z3="8.47558"
                           zFract="0.38143924"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29417"
                           xFract="0.74575474"
                           y3="2.07163"
                           yFract="0.24545379"
                           z3="4.0539"
                           zFract="0.18244374"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.60833"
                           xFract="0.78297749"
                           y3="2.16135"
                           yFract="0.25608412"
                           z3="8.88497"
                           zFract="0.39986364"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40682"
                           xFract="0.99606872"
                           y3="6.4612"
                           yFract="0.76554502"
                           z3="6.41113"
                           zFract="0.2885297"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96438"
                           xFract="0.23274645"
                           y3="4.25622"
                           yFract="0.50429147"
                           z3="6.41614"
                           zFract="0.28875518"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02296"
                           xFract="0.00272038"
                           y3="4.1965"
                           yFract="0.49721564"
                           z3="4.11704"
                           zFract="0.18528533"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.23469"
                           xFract="0.02780687"
                           y3="4.05603"
                           yFract="0.48057227"
                           z3="9.24782"
                           zFract="0.41619352"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20037"
                           xFract="0.26070735"
                           y3="6.32629"
                           yFract="0.74956043"
                           z3="4.28526"
                           zFract="0.19285599"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05942"
                           xFract="0.24400711"
                           y3="6.36098"
                           yFract="0.75367062"
                           z3="8.48634"
                           zFract="0.38192349"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2328"
                           xFract="0.50151659"
                           y3="6.34133"
                           yFract="0.75134242"
                           z3="6.30019"
                           zFract="0.2835369"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43241"
                           xFract="0.76213389"
                           y3="4.3050"
                           yFract="0.51007109"
                           z3="6.33049"
                           zFract="0.28490054"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19565"
                           xFract="0.49711493"
                           y3="4.37667"
                           yFract="0.5185628"
                           z3="4.28868"
                           zFract="0.1930099"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14957"
                           xFract="0.49165521"
                           y3="4.2049"
                           yFract="0.4982109"
                           z3="8.51532"
                           zFract="0.38322772"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19686"
                           xFract="0.73422512"
                           y3="6.3593"
                           yFract="0.75347156"
                           z3="4.22855"
                           zFract="0.19030378"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40299"
                           xFract="0.7586481"
                           y3="6.24542"
                           yFract="0.73997867"
                           z3="8.47509"
                           zFract="0.38141719"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.73">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08357"
                           xFract="0.00990166"
                           y3="4.16436"
                           yFract="0.49340758"
                           z3="10.20595"
                           zFract="0.45931368"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02135"
                           xFract="-0.00252962"
                           y3="6.38596"
                           yFract="0.75663033"
                           z3="8.49149"
                           zFract="0.38215527"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32994"
                           xFract="0.74999289"
                           y3="0.00844"
                           yFract="0.0010"
                           z3="4.24448"
                           zFract="0.1910207"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.04209"
                           xFract="0.00498697"
                           y3="2.07698"
                           yFract="0.24608768"
                           z3="8.81653"
                           zFract="0.39678353"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34908"
                           xFract="0.75226066"
                           y3="6.32899"
                           yFract="0.74988033"
                           z3="6.37442"
                           zFract="0.28687759"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20528"
                           xFract="0.49825592"
                           y3="6.34246"
                           yFract="0.7514763"
                           z3="4.2324"
                           zFract="0.19047705"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41983"
                           xFract="0.99761019"
                           y3="0.05738"
                           yFract="0.00679858"
                           z3="6.36388"
                           zFract="0.28640324"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41249"
                           xFract="0.99674052"
                           y3="2.09995"
                           yFract="0.24880924"
                           z3="4.18586"
                           zFract="0.18838254"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12806"
                           xFract="0.25213981"
                           y3="4.1796"
                           yFract="0.49521327"
                           z3="8.47264"
                           zFract="0.38130693"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09481"
                           xFract="0.24820024"
                           y3="4.21164"
                           yFract="0.49900948"
                           z3="4.25628"
                           zFract="0.19155176"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06979"
                           xFract="0.24523578"
                           y3="6.34103"
                           yFract="0.75130687"
                           z3="6.37622"
                           zFract="0.2869586"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09622"
                           xFract="0.2483673"
                           y3="0.00339"
                           yFract="0.00040166"
                           z3="4.22323"
                           zFract="0.19006436"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24985"
                           xFract="0.50353673"
                           y3="0.04091"
                           yFract="0.00484716"
                           z3="6.3241"
                           zFract="0.28461296"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36124"
                           xFract="0.75370142"
                           y3="2.1169"
                           yFract="0.25081754"
                           z3="6.41988"
                           zFract="0.28892349"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.30851"
                           xFract="0.74745379"
                           y3="4.12832"
                           yFract="0.48913744"
                           z3="8.64078"
                           zFract="0.38887399"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28403"
                           xFract="0.50758649"
                           y3="2.12632"
                           yFract="0.25193365"
                           z3="8.57794"
                           zFract="0.3860459"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4247"
                           xFract="0.9981872"
                           y3="6.31106"
                           yFract="0.74775592"
                           z3="4.26523"
                           zFract="0.19195455"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40451"
                           xFract="0.99579502"
                           y3="4.1775"
                           yFract="0.49496445"
                           z3="6.37869"
                           zFract="0.28706976"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21921"
                           xFract="0.4999064"
                           y3="2.11441"
                           yFract="0.25052251"
                           z3="4.21236"
                           zFract="0.18957516"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02763"
                           xFract="0.24024052"
                           y3="2.1000"
                           yFract="0.24881517"
                           z3="6.40155"
                           zFract="0.28809856"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35917"
                           xFract="0.75345616"
                           y3="4.20605"
                           yFract="0.49834716"
                           z3="4.25881"
                           zFract="0.19166562"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.27102"
                           xFract="0.50604502"
                           y3="6.32051"
                           yFract="0.74887559"
                           z3="8.48875"
                           zFract="0.38203195"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2646"
                           xFract="0.50528436"
                           y3="4.1715"
                           yFract="0.49425355"
                           z3="6.41336"
                           zFract="0.28863006"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1414"
                           xFract="0.25372038"
                           y3="0.01343"
                           yFract="0.00159123"
                           z3="8.43169"
                           zFract="0.379464"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33671"
                           xFract="0.75079502"
                           y3="0.08639"
                           yFract="0.01023578"
                           z3="8.49924"
                           zFract="0.38250405"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28754"
                           xFract="0.98193602"
                           y3="2.04199"
                           yFract="0.24194194"
                           z3="6.19974"
                           zFract="0.2790162"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14906"
                           xFract="0.25462796"
                           y3="8.42158"
                           yFract="0.99781754"
                           z3="6.30577"
                           zFract="0.28378803"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00281"
                           xFract="-0.00033294"
                           y3="-0.00865"
                           yFract="-0.00102488"
                           z3="4.24989"
                           zFract="0.19126418"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39409"
                           xFract="0.99456043"
                           y3="0.14947"
                           yFract="0.01770972"
                           z3="8.40464"
                           zFract="0.37824662"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11751"
                           xFract="0.25088981"
                           y3="2.11032"
                           yFract="0.25003791"
                           z3="4.27493"
                           zFract="0.19239109"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93696"
                           xFract="0.22949763"
                           y3="2.05785"
                           yFract="0.24382109"
                           z3="8.51924"
                           zFract="0.38340414"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39316"
                           xFract="0.52051659"
                           y3="2.10669"
                           yFract="0.24960782"
                           z3="6.26797"
                           zFract="0.28208686"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33054"
                           xFract="0.75006398"
                           y3="8.34843"
                           yFract="0.98915047"
                           z3="6.31196"
                           zFract="0.28406661"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21106"
                           xFract="0.49894076"
                           y3="8.3050"
                           yFract="0.98400474"
                           z3="4.20775"
                           zFract="0.18936769"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29489"
                           xFract="0.50887322"
                           y3="0.02493"
                           yFract="0.00295379"
                           z3="8.47504"
                           zFract="0.38141494"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29566"
                           xFract="0.74593128"
                           y3="2.07183"
                           yFract="0.24547749"
                           z3="4.05351"
                           zFract="0.18242619"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.61222"
                           xFract="0.78343839"
                           y3="2.16275"
                           yFract="0.25625"
                           z3="8.89041"
                           zFract="0.40010846"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4070"
                           xFract="0.99609005"
                           y3="6.46098"
                           yFract="0.76551896"
                           z3="6.41227"
                           zFract="0.28858101"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96341"
                           xFract="0.23263152"
                           y3="4.25437"
                           yFract="0.50407227"
                           z3="6.41725"
                           zFract="0.28880513"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02246"
                           xFract="0.00266114"
                           y3="4.19795"
                           yFract="0.49738744"
                           z3="4.11715"
                           zFract="0.18529028"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.23651"
                           xFract="0.02802251"
                           y3="4.05096"
                           yFract="0.47997156"
                           z3="9.25332"
                           zFract="0.41644104"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20163"
                           xFract="0.26085664"
                           y3="6.32597"
                           yFract="0.74952251"
                           z3="4.28556"
                           zFract="0.19286949"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05737"
                           xFract="0.24376422"
                           y3="6.36055"
                           yFract="0.75361967"
                           z3="8.48615"
                           zFract="0.38191494"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23238"
                           xFract="0.50146682"
                           y3="6.34145"
                           yFract="0.75135664"
                           z3="6.3008"
                           zFract="0.28356436"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43224"
                           xFract="0.76211374"
                           y3="4.30538"
                           yFract="0.51011611"
                           z3="6.33076"
                           zFract="0.28491269"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19524"
                           xFract="0.49706635"
                           y3="4.37615"
                           yFract="0.51850118"
                           z3="4.28962"
                           zFract="0.19305221"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14969"
                           xFract="0.49166943"
                           y3="4.20654"
                           yFract="0.49840521"
                           z3="8.5149"
                           zFract="0.38320882"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19555"
                           xFract="0.73406991"
                           y3="6.35938"
                           yFract="0.75348104"
                           z3="4.22875"
                           zFract="0.19031278"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40538"
                           xFract="0.75893128"
                           y3="6.24464"
                           yFract="0.73988626"
                           z3="8.47581"
                           zFract="0.38144959"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.74">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08362"
                           xFract="0.00990758"
                           y3="4.15546"
                           yFract="0.49235308"
                           z3="10.22207"
                           zFract="0.46003915"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02319"
                           xFract="-0.00274763"
                           y3="6.39207"
                           yFract="0.75735427"
                           z3="8.49022"
                           zFract="0.38209811"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33364"
                           xFract="0.75043128"
                           y3="0.00765"
                           yFract="0.0009064"
                           z3="4.24578"
                           zFract="0.19107921"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.04936"
                           xFract="0.00584834"
                           y3="2.07223"
                           yFract="0.24552488"
                           z3="8.82843"
                           zFract="0.39731908"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35105"
                           xFract="0.75249408"
                           y3="6.33108"
                           yFract="0.75012796"
                           z3="6.37658"
                           zFract="0.2869748"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20653"
                           xFract="0.49840403"
                           y3="6.33826"
                           yFract="0.75097867"
                           z3="4.23405"
                           zFract="0.19055131"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42235"
                           xFract="0.99790877"
                           y3="0.06178"
                           yFract="0.00731991"
                           z3="6.3654"
                           zFract="0.28647165"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41343"
                           xFract="0.9968519"
                           y3="2.09942"
                           yFract="0.24874645"
                           z3="4.18986"
                           zFract="0.18856256"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13211"
                           xFract="0.25261967"
                           y3="4.17934"
                           yFract="0.49518246"
                           z3="8.47854"
                           zFract="0.38157246"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09316"
                           xFract="0.24800474"
                           y3="4.20866"
                           yFract="0.4986564"
                           z3="4.25623"
                           zFract="0.1915495"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06683"
                           xFract="0.24488507"
                           y3="6.34205"
                           yFract="0.75142773"
                           z3="6.37989"
                           zFract="0.28712376"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09458"
                           xFract="0.24817299"
                           y3="0.00334"
                           yFract="0.00039573"
                           z3="4.22213"
                           zFract="0.19001485"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2503"
                           xFract="0.50359005"
                           y3="0.04039"
                           yFract="0.00478555"
                           z3="6.32566"
                           zFract="0.28468317"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35912"
                           xFract="0.75345024"
                           y3="2.11944"
                           yFract="0.25111848"
                           z3="6.41511"
                           zFract="0.28870882"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.31665"
                           xFract="0.74841825"
                           y3="4.13041"
                           yFract="0.48938507"
                           z3="8.64079"
                           zFract="0.38887444"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28182"
                           xFract="0.50732464"
                           y3="2.12845"
                           yFract="0.25218602"
                           z3="8.57787"
                           zFract="0.38604275"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42383"
                           xFract="0.99808412"
                           y3="6.31087"
                           yFract="0.74773341"
                           z3="4.26599"
                           zFract="0.19198875"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4023"
                           xFract="0.99553318"
                           y3="4.17934"
                           yFract="0.49518246"
                           z3="6.38316"
                           zFract="0.28727093"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21709"
                           xFract="0.49965521"
                           y3="2.11346"
                           yFract="0.25040995"
                           z3="4.2124"
                           zFract="0.18957696"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02676"
                           xFract="0.24013744"
                           y3="2.09865"
                           yFract="0.24865521"
                           z3="6.40432"
                           zFract="0.28822322"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35809"
                           xFract="0.7533282"
                           y3="4.2057"
                           yFract="0.49830569"
                           z3="4.25928"
                           zFract="0.19168677"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.27407"
                           xFract="0.5064064"
                           y3="6.32337"
                           yFract="0.74921445"
                           z3="8.48692"
                           zFract="0.38194959"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26139"
                           xFract="0.50490403"
                           y3="4.17014"
                           yFract="0.49409242"
                           z3="6.4111"
                           zFract="0.28852835"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14489"
                           xFract="0.25413389"
                           y3="0.0119"
                           yFract="0.00140995"
                           z3="8.43374"
                           zFract="0.37955626"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33817"
                           xFract="0.75096801"
                           y3="0.09969"
                           yFract="0.01181161"
                           z3="8.5000"
                           zFract="0.38253825"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28703"
                           xFract="0.98187559"
                           y3="2.04478"
                           yFract="0.24227251"
                           z3="6.20119"
                           zFract="0.27908146"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15039"
                           xFract="0.25478555"
                           y3="8.42402"
                           yFract="0.99810664"
                           z3="6.30683"
                           zFract="0.28383573"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00228"
                           xFract="-0.00027014"
                           y3="-0.01065"
                           yFract="-0.00126185"
                           z3="4.25293"
                           zFract="0.19140099"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39376"
                           xFract="0.99452133"
                           y3="0.15227"
                           yFract="0.01804147"
                           z3="8.40912"
                           zFract="0.37844824"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1105"
                           xFract="0.25005924"
                           y3="2.10992"
                           yFract="0.24999052"
                           z3="4.27032"
                           zFract="0.19218362"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93743"
                           xFract="0.22955332"
                           y3="2.05592"
                           yFract="0.24359242"
                           z3="8.52496"
                           zFract="0.38366157"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39488"
                           xFract="0.52072038"
                           y3="2.10512"
                           yFract="0.2494218"
                           z3="6.26578"
                           zFract="0.2819883"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33056"
                           xFract="0.75006635"
                           y3="8.35103"
                           yFract="0.98945853"
                           z3="6.31201"
                           zFract="0.28406886"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21102"
                           xFract="0.49893602"
                           y3="8.30852"
                           yFract="0.9844218"
                           z3="4.20948"
                           zFract="0.18944554"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29778"
                           xFract="0.50921564"
                           y3="0.01934"
                           yFract="0.00229147"
                           z3="8.47343"
                           zFract="0.38134248"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30012"
                           xFract="0.74645972"
                           y3="2.07244"
                           yFract="0.24554976"
                           z3="4.05233"
                           zFract="0.18237309"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.62387"
                           xFract="0.78481872"
                           y3="2.16693"
                           yFract="0.25674526"
                           z3="8.9067"
                           zFract="0.40084158"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40754"
                           xFract="0.99615403"
                           y3="6.46034"
                           yFract="0.76544313"
                           z3="6.4157"
                           zFract="0.28873537"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.96047"
                           xFract="0.23228318"
                           y3="4.24883"
                           yFract="0.50341588"
                           z3="6.42058"
                           zFract="0.288955"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02096"
                           xFract="0.00248341"
                           y3="4.20229"
                           yFract="0.49790166"
                           z3="4.11748"
                           zFract="0.18530513"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.24194"
                           xFract="0.02866588"
                           y3="4.03575"
                           yFract="0.47816943"
                           z3="9.2698"
                           zFract="0.41718272"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2054"
                           xFract="0.26130332"
                           y3="6.3250"
                           yFract="0.74940758"
                           z3="4.28646"
                           zFract="0.19290999"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05122"
                           xFract="0.24303555"
                           y3="6.35926"
                           yFract="0.75346682"
                           z3="8.48558"
                           zFract="0.38188929"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23112"
                           xFract="0.50131754"
                           y3="6.34182"
                           yFract="0.75140047"
                           z3="6.3026"
                           zFract="0.28364536"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43172"
                           xFract="0.76205213"
                           y3="4.30654"
                           yFract="0.51025355"
                           z3="6.33156"
                           zFract="0.28494869"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1940"
                           xFract="0.49691943"
                           y3="4.37462"
                           yFract="0.51831991"
                           z3="4.29244"
                           zFract="0.19317912"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15004"
                           xFract="0.4917109"
                           y3="4.21143"
                           yFract="0.4989846"
                           z3="8.51365"
                           zFract="0.38315257"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19163"
                           xFract="0.73360545"
                           y3="6.35962"
                           yFract="0.75350948"
                           z3="4.22935"
                           zFract="0.19033978"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41255"
                           xFract="0.75978081"
                           y3="6.2423"
                           yFract="0.739609"
                           z3="8.47796"
                           zFract="0.38154635"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.75">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08371"
                           xFract="0.00991825"
                           y3="4.13767"
                           yFract="0.49024526"
                           z3="10.25432"
                           zFract="0.46149055"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02687"
                           xFract="-0.00318365"
                           y3="6.40428"
                           yFract="0.75880095"
                           z3="8.48767"
                           zFract="0.38198335"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34104"
                           xFract="0.75130806"
                           y3="0.00608"
                           yFract="0.00072038"
                           z3="4.24839"
                           zFract="0.19119667"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06388"
                           xFract="0.00756872"
                           y3="2.06275"
                           yFract="0.24440166"
                           z3="8.85224"
                           zFract="0.39839064"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3550"
                           xFract="0.75296209"
                           y3="6.33526"
                           yFract="0.75062322"
                           z3="6.38089"
                           zFract="0.28716877"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20903"
                           xFract="0.49870024"
                           y3="6.32988"
                           yFract="0.74998578"
                           z3="4.23735"
                           zFract="0.19069982"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42738"
                           xFract="0.99850474"
                           y3="0.07058"
                           yFract="0.00836256"
                           z3="6.36843"
                           zFract="0.28660801"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41532"
                           xFract="0.99707583"
                           y3="2.09836"
                           yFract="0.24862085"
                           z3="4.19786"
                           zFract="0.18892259"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14021"
                           xFract="0.25357938"
                           y3="4.17883"
                           yFract="0.49512204"
                           z3="8.49034"
                           zFract="0.38210351"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08985"
                           xFract="0.24761256"
                           y3="4.20269"
                           yFract="0.49794905"
                           z3="4.25613"
                           zFract="0.191545"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06092"
                           xFract="0.24418483"
                           y3="6.34409"
                           yFract="0.75166943"
                           z3="6.38723"
                           zFract="0.2874541"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09131"
                           xFract="0.24778555"
                           y3="0.00325"
                           yFract="0.00038507"
                           z3="4.21993"
                           zFract="0.18991584"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25121"
                           xFract="0.50369787"
                           y3="0.03935"
                           yFract="0.00466232"
                           z3="6.32878"
                           zFract="0.28482358"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35487"
                           xFract="0.75294668"
                           y3="2.12452"
                           yFract="0.25172038"
                           z3="6.40558"
                           zFract="0.28827993"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33294"
                           xFract="0.75034834"
                           y3="4.13459"
                           yFract="0.48988033"
                           z3="8.64082"
                           zFract="0.38887579"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27739"
                           xFract="0.50679976"
                           y3="2.13273"
                           yFract="0.25269313"
                           z3="8.57772"
                           zFract="0.386036"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4221"
                           xFract="0.99787915"
                           y3="6.31049"
                           yFract="0.74768839"
                           z3="4.26751"
                           zFract="0.19205716"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39788"
                           xFract="0.99500948"
                           y3="4.18302"
                           yFract="0.49561848"
                           z3="6.39209"
                           zFract="0.28767282"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21284"
                           xFract="0.49915166"
                           y3="2.11157"
                           yFract="0.25018602"
                           z3="4.21248"
                           zFract="0.18958056"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02502"
                           xFract="0.23993128"
                           y3="2.09595"
                           yFract="0.24833531"
                           z3="6.40984"
                           zFract="0.28847165"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35592"
                           xFract="0.75307109"
                           y3="4.20501"
                           yFract="0.49822393"
                           z3="4.26022"
                           zFract="0.19172907"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28017"
                           xFract="0.50712915"
                           y3="6.32908"
                           yFract="0.749891"
                           z3="8.48328"
                           zFract="0.38178578"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25497"
                           xFract="0.50414336"
                           y3="4.16742"
                           yFract="0.49377014"
                           z3="6.40658"
                           zFract="0.28832493"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15188"
                           xFract="0.25496209"
                           y3="0.00885"
                           yFract="0.00104858"
                           z3="8.43785"
                           zFract="0.37974122"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34108"
                           xFract="0.7513128"
                           y3="0.12628"
                           yFract="0.01496209"
                           z3="8.50153"
                           zFract="0.38260711"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28601"
                           xFract="0.98175474"
                           y3="2.05036"
                           yFract="0.24293365"
                           z3="6.20407"
                           zFract="0.27921107"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15305"
                           xFract="0.25510071"
                           y3="8.42892"
                           yFract="0.9986872"
                           z3="6.30894"
                           zFract="0.28393069"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00122"
                           xFract="-0.00014455"
                           y3="-0.01466"
                           yFract="-0.00173697"
                           z3="4.2590"
                           zFract="0.19167417"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39309"
                           xFract="0.99444194"
                           y3="0.15787"
                           yFract="0.01870498"
                           z3="8.41808"
                           zFract="0.37885149"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09649"
                           xFract="0.24839929"
                           y3="2.10913"
                           yFract="0.24989692"
                           z3="4.2611"
                           zFract="0.19176868"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93836"
                           xFract="0.22966351"
                           y3="2.05206"
                           yFract="0.24313507"
                           z3="8.53639"
                           zFract="0.38417597"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39832"
                           xFract="0.52112796"
                           y3="2.10196"
                           yFract="0.24904739"
                           z3="6.26141"
                           zFract="0.28179163"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33061"
                           xFract="0.75007227"
                           y3="8.35624"
                           yFract="0.99007583"
                           z3="6.31211"
                           zFract="0.28407336"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21093"
                           xFract="0.49892536"
                           y3="8.31556"
                           yFract="0.98525592"
                           z3="4.21294"
                           zFract="0.18960126"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30356"
                           xFract="0.50990047"
                           y3="0.00816"
                           yFract="0.00096682"
                           z3="8.47021"
                           zFract="0.38119757"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30905"
                           xFract="0.74751777"
                           y3="2.07366"
                           yFract="0.24569431"
                           z3="4.04997"
                           zFract="0.18226688"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64716"
                           xFract="0.7875782"
                           y3="2.1753"
                           yFract="0.25773697"
                           z3="8.93929"
                           zFract="0.40230828"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40863"
                           xFract="0.99628318"
                           y3="6.45904"
                           yFract="0.7652891"
                           z3="6.42256"
                           zFract="0.2890441"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9546"
                           xFract="0.23158768"
                           y3="4.23775"
                           yFract="0.50210308"
                           z3="6.42723"
                           zFract="0.28925428"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01798"
                           xFract="0.00213033"
                           y3="4.21097"
                           yFract="0.49893009"
                           z3="4.11813"
                           zFract="0.18533438"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.25281"
                           xFract="0.02995379"
                           y3="4.00533"
                           yFract="0.47456517"
                           z3="9.30277"
                           zFract="0.41866652"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21295"
                           xFract="0.26219787"
                           y3="6.32308"
                           yFract="0.74918009"
                           z3="4.28825"
                           zFract="0.19299055"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03892"
                           xFract="0.2415782"
                           y3="6.35669"
                           yFract="0.75316232"
                           z3="8.48442"
                           zFract="0.38183708"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22859"
                           xFract="0.50101777"
                           y3="6.34256"
                           yFract="0.75148815"
                           z3="6.3062"
                           zFract="0.28380738"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43068"
                           xFract="0.76192891"
                           y3="4.30884"
                           yFract="0.51052607"
                           z3="6.33317"
                           zFract="0.28502115"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19153"
                           xFract="0.49662678"
                           y3="4.37155"
                           yFract="0.51795616"
                           z3="4.29808"
                           zFract="0.19343294"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15075"
                           xFract="0.49179502"
                           y3="4.22123"
                           yFract="0.50014573"
                           z3="8.51114"
                           zFract="0.3830396"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1838"
                           xFract="0.73267773"
                           y3="6.36011"
                           yFract="0.75356754"
                           z3="4.23055"
                           zFract="0.19039379"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42688"
                           xFract="0.76147867"
                           y3="6.23762"
                           yFract="0.7390545"
                           z3="8.48227"
                           zFract="0.38174032"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.76">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08365"
                           xFract="0.00991114"
                           y3="4.14987"
                           yFract="0.49169076"
                           z3="10.2322"
                           zFract="0.46049505"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02435"
                           xFract="-0.00288507"
                           y3="6.3959"
                           yFract="0.75780806"
                           z3="8.48942"
                           zFract="0.38206211"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33597"
                           xFract="0.75070735"
                           y3="0.00716"
                           yFract="0.00084834"
                           z3="4.2466"
                           zFract="0.19111611"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.05392"
                           xFract="0.00638863"
                           y3="2.06925"
                           yFract="0.2451718"
                           z3="8.83591"
                           zFract="0.39765572"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3523"
                           xFract="0.75264218"
                           y3="6.33239"
                           yFract="0.75028318"
                           z3="6.37793"
                           zFract="0.28703555"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20731"
                           xFract="0.49849645"
                           y3="6.33563"
                           yFract="0.75066706"
                           z3="4.23509"
                           zFract="0.19059811"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42393"
                           xFract="0.99809597"
                           y3="0.06455"
                           yFract="0.0076481"
                           z3="6.36635"
                           zFract="0.2865144"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41403"
                           xFract="0.99692299"
                           y3="2.09909"
                           yFract="0.24870735"
                           z3="4.19238"
                           zFract="0.18867597"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13465"
                           xFract="0.25292062"
                           y3="4.17918"
                           yFract="0.49516351"
                           z3="8.48224"
                           zFract="0.38173897"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09212"
                           xFract="0.24788152"
                           y3="4.20678"
                           yFract="0.49843365"
                           z3="4.2562"
                           zFract="0.19154815"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06497"
                           xFract="0.24466469"
                           y3="6.34269"
                           yFract="0.75150355"
                           z3="6.38219"
                           zFract="0.28722727"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09356"
                           xFract="0.24805213"
                           y3="0.00331"
                           yFract="0.00039218"
                           z3="4.22144"
                           zFract="0.1899838"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25059"
                           xFract="0.50362441"
                           y3="0.04006"
                           yFract="0.00474645"
                           z3="6.32664"
                           zFract="0.28472727"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35778"
                           xFract="0.75329147"
                           y3="2.12104"
                           yFract="0.25130806"
                           z3="6.41212"
                           zFract="0.28857426"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32177"
                           xFract="0.74902488"
                           y3="4.13172"
                           yFract="0.48954028"
                           z3="8.6408"
                           zFract="0.38887489"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28043"
                           xFract="0.50715995"
                           y3="2.1298"
                           yFract="0.25234597"
                           z3="8.57782"
                           zFract="0.3860405"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42329"
                           xFract="0.99802014"
                           y3="6.31075"
                           yFract="0.74771919"
                           z3="4.26647"
                           zFract="0.19201035"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40091"
                           xFract="0.99536848"
                           y3="4.18049"
                           yFract="0.49531872"
                           z3="6.38596"
                           zFract="0.28739694"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21575"
                           xFract="0.49949645"
                           y3="2.11287"
                           yFract="0.25034005"
                           z3="4.21243"
                           zFract="0.18957831"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02621"
                           xFract="0.24007227"
                           y3="2.0978"
                           yFract="0.2485545"
                           z3="6.40605"
                           zFract="0.28830108"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35741"
                           xFract="0.75324763"
                           y3="4.20548"
                           yFract="0.49827962"
                           z3="4.25958"
                           zFract="0.19170027"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.27599"
                           xFract="0.50663389"
                           y3="6.32516"
                           yFract="0.74942654"
                           z3="8.48578"
                           zFract="0.38189829"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25938"
                           xFract="0.50466588"
                           y3="4.16929"
                           yFract="0.49399171"
                           z3="6.40968"
                           zFract="0.28846445"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14709"
                           xFract="0.25439455"
                           y3="0.01094"
                           yFract="0.00129621"
                           z3="8.43503"
                           zFract="0.37961431"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33908"
                           xFract="0.75107583"
                           y3="0.10804"
                           yFract="0.01280095"
                           z3="8.50048"
                           zFract="0.38255986"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28671"
                           xFract="0.98183768"
                           y3="2.04653"
                           yFract="0.24247986"
                           z3="6.20209"
                           zFract="0.27912196"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15123"
                           xFract="0.25488507"
                           y3="8.42556"
                           yFract="0.9982891"
                           z3="6.30749"
                           zFract="0.28386544"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00195"
                           xFract="-0.00023104"
                           y3="-0.01191"
                           yFract="-0.00141114"
                           z3="4.25484"
                           zFract="0.19148695"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39355"
                           xFract="0.99449645"
                           y3="0.15403"
                           yFract="0.01825"
                           z3="8.41193"
                           zFract="0.37857471"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1061"
                           xFract="0.24953791"
                           y3="2.10967"
                           yFract="0.2499609"
                           z3="4.26742"
                           zFract="0.19205311"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93772"
                           xFract="0.22958768"
                           y3="2.0547"
                           yFract="0.24344787"
                           z3="8.52855"
                           zFract="0.38382313"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39596"
                           xFract="0.52084834"
                           y3="2.10413"
                           yFract="0.2493045"
                           z3="6.26441"
                           zFract="0.28192664"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33057"
                           xFract="0.75006754"
                           y3="8.35267"
                           yFract="0.98965284"
                           z3="6.31204"
                           zFract="0.28407021"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21099"
                           xFract="0.49893246"
                           y3="8.31073"
                           yFract="0.98468365"
                           z3="4.21057"
                           zFract="0.1894946"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29959"
                           xFract="0.50943009"
                           y3="0.01583"
                           yFract="0.00187559"
                           z3="8.47242"
                           zFract="0.38129703"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30292"
                           xFract="0.74679147"
                           y3="2.07283"
                           yFract="0.24559597"
                           z3="4.05159"
                           zFract="0.18233978"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.63119"
                           xFract="0.78568602"
                           y3="2.16956"
                           yFract="0.25705687"
                           z3="8.91694"
                           zFract="0.40130243"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40788"
                           xFract="0.99619431"
                           y3="6.45993"
                           yFract="0.76539455"
                           z3="6.41786"
                           zFract="0.28883258"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95863"
                           xFract="0.23206517"
                           y3="4.24535"
                           yFract="0.50300355"
                           z3="6.42267"
                           zFract="0.28904905"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02003"
                           xFract="0.00237322"
                           y3="4.20502"
                           yFract="0.49822512"
                           z3="4.11768"
                           zFract="0.18531413"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.24535"
                           xFract="0.02906991"
                           y3="4.02619"
                           yFract="0.47703673"
                           z3="9.28016"
                           zFract="0.41764896"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20778"
                           xFract="0.26158531"
                           y3="6.3244"
                           yFract="0.74933649"
                           z3="4.28702"
                           zFract="0.19293519"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04736"
                           xFract="0.2425782"
                           y3="6.35845"
                           yFract="0.75337085"
                           z3="8.48521"
                           zFract="0.38187264"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23032"
                           xFract="0.50122275"
                           y3="6.34205"
                           yFract="0.75142773"
                           z3="6.30373"
                           zFract="0.28369622"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43139"
                           xFract="0.76201303"
                           y3="4.30726"
                           yFract="0.51033886"
                           z3="6.33206"
                           zFract="0.2849712"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19323"
                           xFract="0.4968282"
                           y3="4.37365"
                           yFract="0.51820498"
                           z3="4.29421"
                           zFract="0.19325878"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15027"
                           xFract="0.49173815"
                           y3="4.21451"
                           yFract="0.49934953"
                           z3="8.51286"
                           zFract="0.38311701"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18917"
                           xFract="0.73331398"
                           y3="6.35978"
                           yFract="0.75352844"
                           z3="4.22973"
                           zFract="0.19035689"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41705"
                           xFract="0.76031398"
                           y3="6.24083"
                           yFract="0.73943483"
                           z3="8.47932"
                           zFract="0.38160756"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a78" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.77">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08335"
                           xFract="0.00987559"
                           y3="4.14493"
                           yFract="0.49110545"
                           z3="10.24199"
                           zFract="0.46093564"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02392"
                           xFract="-0.00283412"
                           y3="6.39904"
                           yFract="0.75818009"
                           z3="8.49034"
                           zFract="0.38210351"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33635"
                           xFract="0.75075237"
                           y3="0.00769"
                           yFract="0.00091114"
                           z3="4.24698"
                           zFract="0.19113321"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.05687"
                           xFract="0.00673815"
                           y3="2.06747"
                           yFract="0.2449609"
                           z3="8.84048"
                           zFract="0.39786139"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35151"
                           xFract="0.75254858"
                           y3="6.33246"
                           yFract="0.75029147"
                           z3="6.37885"
                           zFract="0.28707696"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20573"
                           xFract="0.49830924"
                           y3="6.33783"
                           yFract="0.75092773"
                           z3="4.2352"
                           zFract="0.19060306"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42351"
                           xFract="0.99804621"
                           y3="0.06301"
                           yFract="0.00746564"
                           z3="6.36625"
                           zFract="0.2865099"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41418"
                           xFract="0.99694076"
                           y3="2.10006"
                           yFract="0.24882227"
                           z3="4.19117"
                           zFract="0.18862151"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13325"
                           xFract="0.25275474"
                           y3="4.17886"
                           yFract="0.49512559"
                           z3="8.48449"
                           zFract="0.38184023"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09118"
                           xFract="0.24777014"
                           y3="4.20673"
                           yFract="0.49842773"
                           z3="4.25661"
                           zFract="0.19156661"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06474"
                           xFract="0.24463744"
                           y3="6.34228"
                           yFract="0.75145498"
                           z3="6.38109"
                           zFract="0.28717777"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09371"
                           xFract="0.24806991"
                           y3="0.00323"
                           yFract="0.0003827"
                           z3="4.22122"
                           zFract="0.1899739"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25053"
                           xFract="0.5036173"
                           y3="0.03957"
                           yFract="0.00468839"
                           z3="6.32521"
                           zFract="0.28466292"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35772"
                           xFract="0.75328436"
                           y3="2.12147"
                           yFract="0.251359"
                           z3="6.4103"
                           zFract="0.28849235"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32521"
                           xFract="0.74943246"
                           y3="4.13119"
                           yFract="0.48947749"
                           z3="8.64039"
                           zFract="0.38885644"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.28007"
                           xFract="0.5071173"
                           y3="2.13122"
                           yFract="0.25251422"
                           z3="8.57781"
                           zFract="0.38604005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42309"
                           xFract="0.99799645"
                           y3="6.31119"
                           yFract="0.74777133"
                           z3="4.26634"
                           zFract="0.1920045"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4007"
                           xFract="0.9953436"
                           y3="4.18243"
                           yFract="0.49554858"
                           z3="6.38741"
                           zFract="0.2874622"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21555"
                           xFract="0.49947275"
                           y3="2.11187"
                           yFract="0.25022156"
                           z3="4.2118"
                           zFract="0.18954995"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02765"
                           xFract="0.24024289"
                           y3="2.09732"
                           yFract="0.24849763"
                           z3="6.40669"
                           zFract="0.28832988"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35742"
                           xFract="0.75324882"
                           y3="4.20527"
                           yFract="0.49825474"
                           z3="4.2590"
                           zFract="0.19167417"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2787"
                           xFract="0.50695498"
                           y3="6.32454"
                           yFract="0.74935308"
                           z3="8.48495"
                           zFract="0.38186094"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25922"
                           xFract="0.50464692"
                           y3="4.16962"
                           yFract="0.49403081"
                           z3="6.4105"
                           zFract="0.28850135"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14758"
                           xFract="0.25445261"
                           y3="0.01015"
                           yFract="0.00120261"
                           z3="8.43718"
                           zFract="0.37971107"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3388"
                           xFract="0.75104265"
                           y3="0.11446"
                           yFract="0.01356161"
                           z3="8.50103"
                           zFract="0.38258461"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2846"
                           xFract="0.98158768"
                           y3="2.04775"
                           yFract="0.24262441"
                           z3="6.20636"
                           zFract="0.27931413"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15057"
                           xFract="0.25480687"
                           y3="8.42687"
                           yFract="0.99844431"
                           z3="6.30911"
                           zFract="0.28393834"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00196"
                           xFract="-0.00023223"
                           y3="-0.01285"
                           yFract="-0.00152251"
                           z3="4.25603"
                           zFract="0.1915405"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39414"
                           xFract="0.99456635"
                           y3="0.15352"
                           yFract="0.01818957"
                           z3="8.4125"
                           zFract="0.37860036"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10602"
                           xFract="0.24952844"
                           y3="2.11009"
                           yFract="0.25001066"
                           z3="4.26767"
                           zFract="0.19206436"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.93994"
                           xFract="0.22985071"
                           y3="2.05289"
                           yFract="0.24323341"
                           z3="8.52998"
                           zFract="0.38388749"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3958"
                           xFract="0.52082938"
                           y3="2.10526"
                           yFract="0.24943839"
                           z3="6.2650"
                           zFract="0.2819532"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33161"
                           xFract="0.75019076"
                           y3="8.3541"
                           yFract="0.98982227"
                           z3="6.31316"
                           zFract="0.28412061"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21131"
                           xFract="0.49897038"
                           y3="8.31047"
                           yFract="0.98465284"
                           z3="4.21067"
                           zFract="0.1894991"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30058"
                           xFract="0.50954739"
                           y3="0.01354"
                           yFract="0.00160427"
                           z3="8.47209"
                           zFract="0.38128218"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30391"
                           xFract="0.74690877"
                           y3="2.07267"
                           yFract="0.24557701"
                           z3="4.05089"
                           zFract="0.18230828"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6347"
                           xFract="0.7861019"
                           y3="2.17236"
                           yFract="0.25738863"
                           z3="8.92388"
                           zFract="0.40161476"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40882"
                           xFract="0.99630569"
                           y3="6.46043"
                           yFract="0.76545379"
                           z3="6.41739"
                           zFract="0.28881143"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95721"
                           xFract="0.23189692"
                           y3="4.24384"
                           yFract="0.50282464"
                           z3="6.42516"
                           zFract="0.28916112"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02008"
                           xFract="0.00237915"
                           y3="4.20581"
                           yFract="0.49831872"
                           z3="4.11801"
                           zFract="0.18532898"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.24994"
                           xFract="0.02961374"
                           y3="4.02171"
                           yFract="0.47650592"
                           z3="9.28433"
                           zFract="0.41783663"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20847"
                           xFract="0.26166706"
                           y3="6.32341"
                           yFract="0.74921919"
                           z3="4.28805"
                           zFract="0.19298155"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04632"
                           xFract="0.24245498"
                           y3="6.36049"
                           yFract="0.75361256"
                           z3="8.48569"
                           zFract="0.38189424"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22967"
                           xFract="0.50114573"
                           y3="6.34161"
                           yFract="0.75137559"
                           z3="6.30374"
                           zFract="0.28369667"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43149"
                           xFract="0.76202488"
                           y3="4.30762"
                           yFract="0.51038152"
                           z3="6.33278"
                           zFract="0.2850036"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19237"
                           xFract="0.4967263"
                           y3="4.37222"
                           yFract="0.51803555"
                           z3="4.29409"
                           zFract="0.19325338"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15021"
                           xFract="0.49173104"
                           y3="4.21596"
                           yFract="0.49952133"
                           z3="8.5128"
                           zFract="0.38311431"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18868"
                           xFract="0.73325592"
                           y3="6.35949"
                           yFract="0.75349408"
                           z3="4.23032"
                           zFract="0.19038344"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41908"
                           xFract="0.7605545"
                           y3="6.2396"
                           yFract="0.7392891"
                           z3="8.47998"
                           zFract="0.38163726"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.78">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08313"
                           xFract="0.00984953"
                           y3="4.14133"
                           yFract="0.49067891"
                           z3="10.24913"
                           zFract="0.46125698"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02361"
                           xFract="-0.00279739"
                           y3="6.40133"
                           yFract="0.75845142"
                           z3="8.49102"
                           zFract="0.38213411"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33662"
                           xFract="0.75078436"
                           y3="0.00808"
                           yFract="0.00095735"
                           z3="4.24725"
                           zFract="0.19114536"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.05902"
                           xFract="0.00699289"
                           y3="2.06617"
                           yFract="0.24480687"
                           z3="8.84381"
                           zFract="0.39801125"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35094"
                           xFract="0.75248104"
                           y3="6.33252"
                           yFract="0.75029858"
                           z3="6.37953"
                           zFract="0.28710756"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20457"
                           xFract="0.4981718"
                           y3="6.33943"
                           yFract="0.7511173"
                           z3="4.23528"
                           zFract="0.19060666"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42321"
                           xFract="0.99801066"
                           y3="0.06189"
                           yFract="0.00733294"
                           z3="6.36617"
                           zFract="0.2865063"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4143"
                           xFract="0.99695498"
                           y3="2.10076"
                           yFract="0.24890521"
                           z3="4.19029"
                           zFract="0.18858191"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13223"
                           xFract="0.25263389"
                           y3="4.17862"
                           yFract="0.49509716"
                           z3="8.48612"
                           zFract="0.38191359"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0905"
                           xFract="0.24768957"
                           y3="4.20669"
                           yFract="0.49842299"
                           z3="4.2569"
                           zFract="0.19157966"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06458"
                           xFract="0.24461848"
                           y3="6.34198"
                           yFract="0.75141943"
                           z3="6.38028"
                           zFract="0.28714131"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09382"
                           xFract="0.24808294"
                           y3="0.00317"
                           yFract="0.00037559"
                           z3="4.22106"
                           zFract="0.1899667"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25048"
                           xFract="0.50361137"
                           y3="0.03921"
                           yFract="0.00464573"
                           z3="6.32417"
                           zFract="0.28461611"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35767"
                           xFract="0.75327844"
                           y3="2.12178"
                           yFract="0.25139573"
                           z3="6.40898"
                           zFract="0.28843294"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32772"
                           xFract="0.74972986"
                           y3="4.13081"
                           yFract="0.48943246"
                           z3="8.6401"
                           zFract="0.38884338"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2798"
                           xFract="0.50708531"
                           y3="2.13226"
                           yFract="0.25263744"
                           z3="8.5778"
                           zFract="0.3860396"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42294"
                           xFract="0.99797867"
                           y3="6.31151"
                           yFract="0.74780924"
                           z3="4.26624"
                           zFract="0.1920"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40055"
                           xFract="0.99532583"
                           y3="4.18384"
                           yFract="0.49571564"
                           z3="6.38847"
                           zFract="0.2875099"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21541"
                           xFract="0.49945616"
                           y3="2.11114"
                           yFract="0.25013507"
                           z3="4.21135"
                           zFract="0.1895297"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02871"
                           xFract="0.24036848"
                           y3="2.09697"
                           yFract="0.24845616"
                           z3="6.40715"
                           zFract="0.28835059"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35743"
                           xFract="0.75325"
                           y3="4.20511"
                           yFract="0.49823578"
                           z3="4.25859"
                           zFract="0.19165572"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28068"
                           xFract="0.50718957"
                           y3="6.32408"
                           yFract="0.74929858"
                           z3="8.48434"
                           zFract="0.38183348"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25911"
                           xFract="0.50463389"
                           y3="4.16986"
                           yFract="0.49405924"
                           z3="6.41111"
                           zFract="0.2885288"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14795"
                           xFract="0.25449645"
                           y3="0.00957"
                           yFract="0.00113389"
                           z3="8.43875"
                           zFract="0.37978173"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3386"
                           xFract="0.75101896"
                           y3="0.11913"
                           yFract="0.01411493"
                           z3="8.50143"
                           zFract="0.38260261"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28306"
                           xFract="0.98140521"
                           y3="2.04864"
                           yFract="0.24272986"
                           z3="6.20948"
                           zFract="0.27945455"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15009"
                           xFract="0.25475"
                           y3="8.42783"
                           yFract="0.99855806"
                           z3="6.3103"
                           zFract="0.2839919"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00197"
                           xFract="-0.00023341"
                           y3="-0.01353"
                           yFract="-0.00160308"
                           z3="4.2569"
                           zFract="0.19157966"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39457"
                           xFract="0.9946173"
                           y3="0.15315"
                           yFract="0.01814573"
                           z3="8.41292"
                           zFract="0.37861926"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10596"
                           xFract="0.24952133"
                           y3="2.1104"
                           yFract="0.25004739"
                           z3="4.26784"
                           zFract="0.19207201"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94156"
                           xFract="0.23004265"
                           y3="2.05157"
                           yFract="0.24307701"
                           z3="8.53103"
                           zFract="0.38393474"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39569"
                           xFract="0.52081635"
                           y3="2.10609"
                           yFract="0.24953673"
                           z3="6.26543"
                           zFract="0.28197255"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33237"
                           xFract="0.75028081"
                           y3="8.35514"
                           yFract="0.9899455"
                           z3="6.31397"
                           zFract="0.28415707"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21154"
                           xFract="0.49899763"
                           y3="8.31028"
                           yFract="0.98463033"
                           z3="4.21075"
                           zFract="0.1895027"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30129"
                           xFract="0.50963152"
                           y3="0.01187"
                           yFract="0.0014064"
                           z3="8.47184"
                           zFract="0.38127093"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30464"
                           xFract="0.74699526"
                           y3="2.07256"
                           yFract="0.24556398"
                           z3="4.05038"
                           zFract="0.18228533"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.63727"
                           xFract="0.7864064"
                           y3="2.17441"
                           yFract="0.25763152"
                           z3="8.92894"
                           zFract="0.40184248"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40951"
                           xFract="0.99638744"
                           y3="6.4608"
                           yFract="0.76549763"
                           z3="6.41705"
                           zFract="0.28879613"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95618"
                           xFract="0.23177488"
                           y3="4.24274"
                           yFract="0.50269431"
                           z3="6.42697"
                           zFract="0.28924257"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02012"
                           xFract="0.00238389"
                           y3="4.20638"
                           yFract="0.49838626"
                           z3="4.11825"
                           zFract="0.18533978"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.25328"
                           xFract="0.03000948"
                           y3="4.01844"
                           yFract="0.47611848"
                           z3="9.28737"
                           zFract="0.41797345"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20897"
                           xFract="0.2617263"
                           y3="6.3227"
                           yFract="0.74913507"
                           z3="4.2888"
                           zFract="0.1930153"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04556"
                           xFract="0.24236493"
                           y3="6.36197"
                           yFract="0.75378791"
                           z3="8.48604"
                           zFract="0.38190999"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22919"
                           xFract="0.50108886"
                           y3="6.34129"
                           yFract="0.75133768"
                           z3="6.30374"
                           zFract="0.28369667"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43155"
                           xFract="0.76203199"
                           y3="4.30789"
                           yFract="0.51041351"
                           z3="6.3333"
                           zFract="0.285027"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19175"
                           xFract="0.49665284"
                           y3="4.37118"
                           yFract="0.51791232"
                           z3="4.29401"
                           zFract="0.19324977"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15016"
                           xFract="0.49172512"
                           y3="4.21702"
                           yFract="0.49964692"
                           z3="8.51276"
                           zFract="0.38311251"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18833"
                           xFract="0.73321445"
                           y3="6.35927"
                           yFract="0.75346801"
                           z3="4.23075"
                           zFract="0.19040279"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42056"
                           xFract="0.76072986"
                           y3="6.23871"
                           yFract="0.73918365"
                           z3="8.48046"
                           zFract="0.38165887"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.79">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08332"
                           xFract="0.00987204"
                           y3="4.13954"
                           yFract="0.49046682"
                           z3="10.25071"
                           zFract="0.46132808"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02341"
                           xFract="-0.0027737"
                           y3="6.40235"
                           yFract="0.75857227"
                           z3="8.49137"
                           zFract="0.38214986"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33668"
                           xFract="0.75079147"
                           y3="0.00825"
                           yFract="0.00097749"
                           z3="4.24735"
                           zFract="0.19114986"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0599"
                           xFract="0.00709716"
                           y3="2.06567"
                           yFract="0.24474763"
                           z3="8.84517"
                           zFract="0.39807246"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35066"
                           xFract="0.75244787"
                           y3="6.33251"
                           yFract="0.75029739"
                           z3="6.37982"
                           zFract="0.28712061"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20415"
                           xFract="0.49812204"
                           y3="6.33997"
                           yFract="0.75118128"
                           z3="4.23528"
                           zFract="0.19060666"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42303"
                           xFract="0.99798934"
                           y3="0.06138"
                           yFract="0.00727251"
                           z3="6.36616"
                           zFract="0.28650585"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41434"
                           xFract="0.99695972"
                           y3="2.10109"
                           yFract="0.24894431"
                           z3="4.18997"
                           zFract="0.18856751"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13174"
                           xFract="0.25257583"
                           y3="4.17856"
                           yFract="0.49509005"
                           z3="8.48678"
                           zFract="0.38194329"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09026"
                           xFract="0.24766114"
                           y3="4.20673"
                           yFract="0.49842773"
                           z3="4.25705"
                           zFract="0.19158641"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06458"
                           xFract="0.24461848"
                           y3="6.34183"
                           yFract="0.75140166"
                           z3="6.3799"
                           zFract="0.28712421"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09387"
                           xFract="0.24808886"
                           y3="0.00317"
                           yFract="0.00037559"
                           z3="4.22105"
                           zFract="0.18996625"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25046"
                           xFract="0.503609"
                           y3="0.03908"
                           yFract="0.00463033"
                           z3="6.32371"
                           zFract="0.28459541"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35763"
                           xFract="0.7532737"
                           y3="2.12189"
                           yFract="0.25140877"
                           z3="6.40844"
                           zFract="0.28840864"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3288"
                           xFract="0.74985782"
                           y3="4.13059"
                           yFract="0.4894064"
                           z3="8.63995"
                           zFract="0.38883663"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27972"
                           xFract="0.50707583"
                           y3="2.13271"
                           yFract="0.25269076"
                           z3="8.57779"
                           zFract="0.38603915"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42287"
                           xFract="0.99797038"
                           y3="6.31165"
                           yFract="0.74782583"
                           z3="4.26618"
                           zFract="0.1919973"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4005"
                           xFract="0.99531991"
                           y3="4.18447"
                           yFract="0.49579028"
                           z3="6.3889"
                           zFract="0.28752925"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21539"
                           xFract="0.49945379"
                           y3="2.11087"
                           yFract="0.25010308"
                           z3="4.21115"
                           zFract="0.1895207"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02921"
                           xFract="0.24042773"
                           y3="2.09684"
                           yFract="0.24844076"
                           z3="6.40733"
                           zFract="0.28835869"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35741"
                           xFract="0.75324763"
                           y3="4.20508"
                           yFract="0.49823223"
                           z3="4.25841"
                           zFract="0.19164761"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28158"
                           xFract="0.50729621"
                           y3="6.3238"
                           yFract="0.7492654"
                           z3="8.48412"
                           zFract="0.38182358"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25914"
                           xFract="0.50463744"
                           y3="4.17002"
                           yFract="0.4940782"
                           z3="6.41144"
                           zFract="0.28854365"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14808"
                           xFract="0.25451185"
                           y3="0.00928"
                           yFract="0.00109953"
                           z3="8.43947"
                           zFract="0.37981413"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33847"
                           xFract="0.75100355"
                           y3="0.12115"
                           yFract="0.01435427"
                           z3="8.5016"
                           zFract="0.38261026"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28238"
                           xFract="0.98132464"
                           y3="2.04897"
                           yFract="0.24276896"
                           z3="6.21081"
                           zFract="0.2795144"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14983"
                           xFract="0.25471919"
                           y3="8.42824"
                           yFract="0.99860664"
                           z3="6.31077"
                           zFract="0.28401305"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00197"
                           xFract="-0.00023341"
                           y3="-0.01376"
                           yFract="-0.00163033"
                           z3="4.25722"
                           zFract="0.19159406"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39473"
                           xFract="0.99463626"
                           y3="0.15287"
                           yFract="0.01811256"
                           z3="8.41304"
                           zFract="0.37862466"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10607"
                           xFract="0.24953436"
                           y3="2.11053"
                           yFract="0.2500628"
                           z3="4.26805"
                           zFract="0.19208146"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94241"
                           xFract="0.23014336"
                           y3="2.05094"
                           yFract="0.24300237"
                           z3="8.53142"
                           zFract="0.3839523"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39562"
                           xFract="0.52080806"
                           y3="2.10648"
                           yFract="0.24958294"
                           z3="6.26571"
                           zFract="0.28198515"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3327"
                           xFract="0.75031991"
                           y3="8.35559"
                           yFract="0.98999882"
                           z3="6.31435"
                           zFract="0.28417417"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21161"
                           xFract="0.49900592"
                           y3="8.31019"
                           yFract="0.98461967"
                           z3="4.21074"
                           zFract="0.18950225"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30161"
                           xFract="0.50966943"
                           y3="0.01121"
                           yFract="0.0013282"
                           z3="8.47175"
                           zFract="0.38126688"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30489"
                           xFract="0.74702488"
                           y3="2.0725"
                           yFract="0.24555687"
                           z3="4.05016"
                           zFract="0.18227543"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.63828"
                           xFract="0.78652607"
                           y3="2.17527"
                           yFract="0.25773341"
                           z3="8.93112"
                           zFract="0.40194059"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4098"
                           xFract="0.9964218"
                           y3="6.46097"
                           yFract="0.76551777"
                           z3="6.41681"
                           zFract="0.28878533"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95573"
                           xFract="0.23172156"
                           y3="4.24234"
                           yFract="0.50264692"
                           z3="6.42777"
                           zFract="0.28927858"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02017"
                           xFract="0.00238981"
                           y3="4.20654"
                           yFract="0.49840521"
                           z3="4.11835"
                           zFract="0.18534428"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.25449"
                           xFract="0.03015284"
                           y3="4.01736"
                           yFract="0.47599052"
                           z3="9.29014"
                           zFract="0.41809811"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20908"
                           xFract="0.26173934"
                           y3="6.32243"
                           yFract="0.74910308"
                           z3="4.28913"
                           zFract="0.19303015"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04532"
                           xFract="0.24233649"
                           y3="6.36271"
                           yFract="0.75387559"
                           z3="8.48621"
                           zFract="0.38191764"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22896"
                           xFract="0.50106161"
                           y3="6.34116"
                           yFract="0.75132227"
                           z3="6.30366"
                           zFract="0.28369307"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4316"
                           xFract="0.76203791"
                           y3="4.30797"
                           yFract="0.51042299"
                           z3="6.33352"
                           zFract="0.2850369"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19147"
                           xFract="0.49661967"
                           y3="4.3708"
                           yFract="0.5178673"
                           z3="4.29391"
                           zFract="0.19324527"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15007"
                           xFract="0.49171445"
                           y3="4.21742"
                           yFract="0.49969431"
                           z3="8.51278"
                           zFract="0.38311341"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1882"
                           xFract="0.73319905"
                           y3="6.3592"
                           yFract="0.75345972"
                           z3="4.23095"
                           zFract="0.19041179"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42115"
                           xFract="0.76079976"
                           y3="6.23828"
                           yFract="0.7391327"
                           z3="8.48063"
                           zFract="0.38166652"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.80">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.0839"
                           xFract="0.00994076"
                           y3="4.13418"
                           yFract="0.48983175"
                           z3="10.25548"
                           zFract="0.46154275"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02282"
                           xFract="-0.00270379"
                           y3="6.4054"
                           yFract="0.75893365"
                           z3="8.49243"
                           zFract="0.38219757"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33685"
                           xFract="0.75081161"
                           y3="0.00876"
                           yFract="0.00103791"
                           z3="4.24765"
                           zFract="0.19116337"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06255"
                           xFract="0.00741114"
                           y3="2.06417"
                           yFract="0.24456991"
                           z3="8.84923"
                           zFract="0.39825518"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34983"
                           xFract="0.75234953"
                           y3="6.33248"
                           yFract="0.75029384"
                           z3="6.38069"
                           zFract="0.28715977"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20289"
                           xFract="0.49797275"
                           y3="6.34159"
                           yFract="0.75137322"
                           z3="4.23528"
                           zFract="0.19060666"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42248"
                           xFract="0.99792417"
                           y3="0.05982"
                           yFract="0.00708768"
                           z3="6.36611"
                           zFract="0.2865036"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41446"
                           xFract="0.99697393"
                           y3="2.10206"
                           yFract="0.24905924"
                           z3="4.18901"
                           zFract="0.1885243"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13028"
                           xFract="0.25240284"
                           y3="4.17836"
                           yFract="0.49506635"
                           z3="8.48876"
                           zFract="0.3820324"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08954"
                           xFract="0.24757583"
                           y3="4.20685"
                           yFract="0.49844194"
                           z3="4.25751"
                           zFract="0.19160711"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06458"
                           xFract="0.24461848"
                           y3="6.34136"
                           yFract="0.75134597"
                           z3="6.37879"
                           zFract="0.28707426"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09403"
                           xFract="0.24810782"
                           y3="0.00317"
                           yFract="0.00037559"
                           z3="4.22101"
                           zFract="0.18996445"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2504"
                           xFract="0.5036019"
                           y3="0.03868"
                           yFract="0.00458294"
                           z3="6.32235"
                           zFract="0.2845342"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35748"
                           xFract="0.75325592"
                           y3="2.12223"
                           yFract="0.25144905"
                           z3="6.40683"
                           zFract="0.28833618"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33206"
                           xFract="0.75024408"
                           y3="4.12995"
                           yFract="0.48933057"
                           z3="8.63951"
                           zFract="0.38881683"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27945"
                           xFract="0.50704384"
                           y3="2.13406"
                           yFract="0.25285071"
                           z3="8.57774"
                           zFract="0.3860369"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42266"
                           xFract="0.9979455"
                           y3="6.31208"
                           yFract="0.74787678"
                           z3="4.26598"
                           zFract="0.1919883"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40036"
                           xFract="0.99530332"
                           y3="4.18635"
                           yFract="0.49601303"
                           z3="6.3902"
                           zFract="0.28758776"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21536"
                           xFract="0.49945024"
                           y3="2.11005"
                           yFract="0.25000592"
                           z3="4.21058"
                           zFract="0.18949505"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03073"
                           xFract="0.24060782"
                           y3="2.09643"
                           yFract="0.24839218"
                           z3="6.40785"
                           zFract="0.28838209"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35737"
                           xFract="0.75324289"
                           y3="4.20498"
                           yFract="0.49822038"
                           z3="4.25787"
                           zFract="0.19162331"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28429"
                           xFract="0.5076173"
                           y3="6.32296"
                           yFract="0.74916588"
                           z3="8.48347"
                           zFract="0.38179433"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25923"
                           xFract="0.5046481"
                           y3="4.17052"
                           yFract="0.49413744"
                           z3="6.41243"
                           zFract="0.28858821"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14848"
                           xFract="0.25455924"
                           y3="0.00844"
                           yFract="0.0010"
                           z3="8.44162"
                           zFract="0.37991089"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33806"
                           xFract="0.75095498"
                           y3="0.12721"
                           yFract="0.01507227"
                           z3="8.50212"
                           zFract="0.38263366"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28036"
                           xFract="0.98108531"
                           y3="2.04996"
                           yFract="0.24288626"
                           z3="6.21482"
                           zFract="0.27969487"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14906"
                           xFract="0.25462796"
                           y3="8.42946"
                           yFract="0.99875118"
                           z3="6.3122"
                           zFract="0.28407741"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00199"
                           xFract="-0.00023578"
                           y3="-0.01446"
                           yFract="-0.00171327"
                           z3="4.25819"
                           zFract="0.19163771"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39522"
                           xFract="0.99469431"
                           y3="0.15202"
                           yFract="0.01801185"
                           z3="8.41339"
                           zFract="0.37864041"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10641"
                           xFract="0.24957464"
                           y3="2.11092"
                           yFract="0.250109"
                           z3="4.26866"
                           zFract="0.19210891"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94496"
                           xFract="0.2304455"
                           y3="2.04904"
                           yFract="0.24277725"
                           z3="8.53261"
                           zFract="0.38400585"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39543"
                           xFract="0.52078555"
                           y3="2.10765"
                           yFract="0.24972156"
                           z3="6.26652"
                           zFract="0.2820216"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33368"
                           xFract="0.75043602"
                           y3="8.35691"
                           yFract="0.99015521"
                           z3="6.3155"
                           zFract="0.28422592"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21183"
                           xFract="0.49903199"
                           y3="8.30995"
                           yFract="0.98459123"
                           z3="4.2107"
                           zFract="0.18950045"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30255"
                           xFract="0.50978081"
                           y3="0.00924"
                           yFract="0.00109479"
                           z3="8.47147"
                           zFract="0.38125428"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30564"
                           xFract="0.74711374"
                           y3="2.07232"
                           yFract="0.24553555"
                           z3="4.04952"
                           zFract="0.18224662"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64132"
                           xFract="0.78688626"
                           y3="2.17788"
                           yFract="0.25804265"
                           z3="8.93766"
                           zFract="0.40223492"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41069"
                           xFract="0.99652725"
                           y3="6.46145"
                           yFract="0.76557464"
                           z3="6.41607"
                           zFract="0.28875203"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95439"
                           xFract="0.2315628"
                           y3="4.24113"
                           yFract="0.50250355"
                           z3="6.43016"
                           zFract="0.28938614"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02032"
                           xFract="0.00240758"
                           y3="4.2070"
                           yFract="0.49845972"
                           z3="4.11865"
                           zFract="0.18535779"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.25814"
                           xFract="0.03058531"
                           y3="4.01409"
                           yFract="0.47560308"
                           z3="9.29844"
                           zFract="0.41847165"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20941"
                           xFract="0.26177844"
                           y3="6.32162"
                           yFract="0.74900711"
                           z3="4.29012"
                           zFract="0.19307471"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04461"
                           xFract="0.24225237"
                           y3="6.36492"
                           yFract="0.75413744"
                           z3="8.48673"
                           zFract="0.38194104"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22828"
                           xFract="0.50098104"
                           y3="6.34076"
                           yFract="0.75127488"
                           z3="6.30343"
                           zFract="0.28368272"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43173"
                           xFract="0.76205332"
                           y3="4.30821"
                           yFract="0.51045142"
                           z3="6.33416"
                           zFract="0.28506571"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19061"
                           xFract="0.49651777"
                           y3="4.36964"
                           yFract="0.51772986"
                           z3="4.29362"
                           zFract="0.19323222"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14979"
                           xFract="0.49168128"
                           y3="4.21862"
                           yFract="0.49983649"
                           z3="8.51283"
                           zFract="0.38311566"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18782"
                           xFract="0.73315403"
                           y3="6.35899"
                           yFract="0.75343483"
                           z3="4.23154"
                           zFract="0.19043834"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4229"
                           xFract="0.76100711"
                           y3="6.23698"
                           yFract="0.73897867"
                           z3="8.48112"
                           zFract="0.38168857"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.81">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08505"
                           xFract="0.01007701"
                           y3="4.12347"
                           yFract="0.4885628"
                           z3="10.26501"
                           zFract="0.46197165"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02162"
                           xFract="-0.00256161"
                           y3="6.41151"
                           yFract="0.75965758"
                           z3="8.49454"
                           zFract="0.38229253"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3372"
                           xFract="0.75085308"
                           y3="0.00979"
                           yFract="0.00115995"
                           z3="4.24825"
                           zFract="0.19119037"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06784"
                           xFract="0.00803791"
                           y3="2.06116"
                           yFract="0.24421327"
                           z3="8.85735"
                           zFract="0.39862061"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34815"
                           xFract="0.75215047"
                           y3="6.33242"
                           yFract="0.75028673"
                           z3="6.38243"
                           zFract="0.28723807"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20037"
                           xFract="0.49767417"
                           y3="6.34483"
                           yFract="0.75175711"
                           z3="4.23529"
                           zFract="0.19060711"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42139"
                           xFract="0.99779502"
                           y3="0.05672"
                           yFract="0.00672038"
                           z3="6.36603"
                           zFract="0.2865"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41471"
                           xFract="0.99700355"
                           y3="2.1040"
                           yFract="0.2492891"
                           z3="4.1871"
                           zFract="0.18843834"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12736"
                           xFract="0.25205687"
                           y3="4.17796"
                           yFract="0.49501896"
                           z3="8.49271"
                           zFract="0.38221017"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0881"
                           xFract="0.24740521"
                           y3="4.20708"
                           yFract="0.49846919"
                           z3="4.25842"
                           zFract="0.19164806"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0646"
                           xFract="0.24462085"
                           y3="6.34044"
                           yFract="0.75123697"
                           z3="6.37655"
                           zFract="0.28697345"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09434"
                           xFract="0.24814455"
                           y3="0.00316"
                           yFract="0.00037441"
                           z3="4.22094"
                           zFract="0.1899613"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25027"
                           xFract="0.50358649"
                           y3="0.03788"
                           yFract="0.00448815"
                           z3="6.31964"
                           zFract="0.28441224"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3572"
                           xFract="0.75322275"
                           y3="2.12291"
                           yFract="0.25152962"
                           z3="6.40361"
                           zFract="0.28819127"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33858"
                           xFract="0.75101659"
                           y3="4.12867"
                           yFract="0.48917891"
                           z3="8.63864"
                           zFract="0.38877768"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27893"
                           xFract="0.50698223"
                           y3="2.13676"
                           yFract="0.25317062"
                           z3="8.57766"
                           zFract="0.3860333"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42224"
                           xFract="0.99789573"
                           y3="6.31295"
                           yFract="0.74797986"
                           z3="4.26558"
                           zFract="0.1919703"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40008"
                           xFract="0.99527014"
                           y3="4.19012"
                           yFract="0.49645972"
                           z3="6.3928"
                           zFract="0.28770477"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21528"
                           xFract="0.49944076"
                           y3="2.10842"
                           yFract="0.2498128"
                           z3="4.20943"
                           zFract="0.18944329"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03377"
                           xFract="0.24096801"
                           y3="2.09562"
                           yFract="0.24829621"
                           z3="6.4089"
                           zFract="0.28842934"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35728"
                           xFract="0.75323223"
                           y3="4.20478"
                           yFract="0.49819668"
                           z3="4.25679"
                           zFract="0.19157471"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28969"
                           xFract="0.50825711"
                           y3="6.32127"
                           yFract="0.74896564"
                           z3="8.48215"
                           zFract="0.38173492"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2594"
                           xFract="0.50466825"
                           y3="4.1715"
                           yFract="0.49425355"
                           z3="6.41442"
                           zFract="0.28867777"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14928"
                           xFract="0.25465403"
                           y3="0.00674"
                           yFract="0.00079858"
                           z3="8.44593"
                           zFract="0.38010486"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33725"
                           xFract="0.750859"
                           y3="0.13933"
                           yFract="0.01650829"
                           z3="8.50315"
                           zFract="0.38268002"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27632"
                           xFract="0.98060664"
                           y3="2.05194"
                           yFract="0.24312085"
                           z3="6.22284"
                           zFract="0.28005581"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14753"
                           xFract="0.25444668"
                           y3="8.43191"
                           yFract="0.99904147"
                           z3="6.31506"
                           zFract="0.28420612"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00201"
                           xFract="-0.00023815"
                           y3="-0.01585"
                           yFract="-0.00187796"
                           z3="4.26012"
                           zFract="0.19172457"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3962"
                           xFract="0.99481043"
                           y3="0.15033"
                           yFract="0.01781161"
                           z3="8.4141"
                           zFract="0.37867237"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10708"
                           xFract="0.24965403"
                           y3="2.1117"
                           yFract="0.25020142"
                           z3="4.26988"
                           zFract="0.19216382"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.95006"
                           xFract="0.23104976"
                           y3="2.04525"
                           yFract="0.2423282"
                           z3="8.53498"
                           zFract="0.38411251"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39505"
                           xFract="0.52074052"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.26814"
                           zFract="0.28209451"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33565"
                           xFract="0.75066943"
                           y3="8.35957"
                           yFract="0.99047038"
                           z3="6.3178"
                           zFract="0.28432943"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21226"
                           xFract="0.49908294"
                           y3="8.30945"
                           yFract="0.98453199"
                           z3="4.21062"
                           zFract="0.18949685"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30444"
                           xFract="0.51000474"
                           y3="0.00529"
                           yFract="0.00062678"
                           z3="8.4709"
                           zFract="0.38122862"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30714"
                           xFract="0.74729147"
                           y3="2.07196"
                           yFract="0.24549289"
                           z3="4.04824"
                           zFract="0.18218902"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64739"
                           xFract="0.78760545"
                           y3="2.1831"
                           yFract="0.25866114"
                           z3="8.95075"
                           zFract="0.40282403"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41247"
                           xFract="0.99673815"
                           y3="6.46242"
                           yFract="0.76568957"
                           z3="6.4146"
                           zFract="0.28868587"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95169"
                           xFract="0.23124289"
                           y3="4.23871"
                           yFract="0.50221682"
                           z3="6.43494"
                           zFract="0.28960126"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02062"
                           xFract="0.00244313"
                           y3="4.20792"
                           yFract="0.49856872"
                           z3="4.11924"
                           zFract="0.18538434"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.26543"
                           xFract="0.03144905"
                           y3="4.00756"
                           yFract="0.47482938"
                           z3="9.31505"
                           zFract="0.41921917"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21007"
                           xFract="0.26185664"
                           y3="6.32001"
                           yFract="0.74881635"
                           z3="4.2921"
                           zFract="0.19316382"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04319"
                           xFract="0.24208412"
                           y3="6.36935"
                           yFract="0.75466232"
                           z3="8.48778"
                           zFract="0.3819883"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22693"
                           xFract="0.50082109"
                           y3="6.33995"
                           yFract="0.75117891"
                           z3="6.30297"
                           zFract="0.28366202"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43199"
                           xFract="0.76208412"
                           y3="4.30868"
                           yFract="0.51050711"
                           z3="6.33545"
                           zFract="0.28512376"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18889"
                           xFract="0.49631398"
                           y3="4.36734"
                           yFract="0.51745735"
                           z3="4.29303"
                           zFract="0.19320567"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14924"
                           xFract="0.49161611"
                           y3="4.22102"
                           yFract="0.50012085"
                           z3="8.51295"
                           zFract="0.38312106"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18706"
                           xFract="0.73306398"
                           y3="6.35857"
                           yFract="0.75338507"
                           z3="4.23271"
                           zFract="0.190491"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4264"
                           xFract="0.7614218"
                           y3="6.2344"
                           yFract="0.73867299"
                           z3="8.48211"
                           zFract="0.38173312"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.82">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08485"
                           xFract="0.01005332"
                           y3="4.12529"
                           yFract="0.48877844"
                           z3="10.26339"
                           zFract="0.46189874"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02182"
                           xFract="-0.00258531"
                           y3="6.41047"
                           yFract="0.75953436"
                           z3="8.49418"
                           zFract="0.38227633"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33714"
                           xFract="0.75084597"
                           y3="0.00961"
                           yFract="0.00113863"
                           z3="4.24815"
                           zFract="0.19118587"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06694"
                           xFract="0.00793128"
                           y3="2.06167"
                           yFract="0.2442737"
                           z3="8.85597"
                           zFract="0.39855851"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34844"
                           xFract="0.75218483"
                           y3="6.33243"
                           yFract="0.75028791"
                           z3="6.38213"
                           zFract="0.28722457"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2008"
                           xFract="0.49772512"
                           y3="6.34428"
                           yFract="0.75169194"
                           z3="4.23529"
                           zFract="0.19060711"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42158"
                           xFract="0.99781754"
                           y3="0.05725"
                           yFract="0.00678318"
                           z3="6.36604"
                           zFract="0.28650045"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41466"
                           xFract="0.99699763"
                           y3="2.10367"
                           yFract="0.24925"
                           z3="4.18743"
                           zFract="0.1884532"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12785"
                           xFract="0.25211493"
                           y3="4.17803"
                           yFract="0.49502725"
                           z3="8.49204"
                           zFract="0.38218002"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08834"
                           xFract="0.24743365"
                           y3="4.20704"
                           yFract="0.49846445"
                           z3="4.25826"
                           zFract="0.19164086"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0646"
                           xFract="0.24462085"
                           y3="6.3406"
                           yFract="0.75125592"
                           z3="6.37693"
                           zFract="0.28699055"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09428"
                           xFract="0.24813744"
                           y3="0.00316"
                           yFract="0.00037441"
                           z3="4.22095"
                           zFract="0.18996175"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25029"
                           xFract="0.50358886"
                           y3="0.03801"
                           yFract="0.00450355"
                           z3="6.3201"
                           zFract="0.28443294"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35725"
                           xFract="0.75322867"
                           y3="2.12279"
                           yFract="0.2515154"
                           z3="6.40415"
                           zFract="0.28821557"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33747"
                           xFract="0.75088507"
                           y3="4.12889"
                           yFract="0.48920498"
                           z3="8.63878"
                           zFract="0.38878398"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27902"
                           xFract="0.50699289"
                           y3="2.1363"
                           yFract="0.25311611"
                           z3="8.57767"
                           zFract="0.38603375"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42232"
                           xFract="0.99790521"
                           y3="6.3128"
                           yFract="0.74796209"
                           z3="4.26565"
                           zFract="0.19197345"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40013"
                           xFract="0.99527607"
                           y3="4.18948"
                           yFract="0.49638389"
                           z3="6.39236"
                           zFract="0.28768497"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21529"
                           xFract="0.49944194"
                           y3="2.10869"
                           yFract="0.24984479"
                           z3="4.20962"
                           zFract="0.18945185"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03326"
                           xFract="0.24090758"
                           y3="2.09576"
                           yFract="0.2483128"
                           z3="6.40873"
                           zFract="0.28842169"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3573"
                           xFract="0.7532346"
                           y3="4.20481"
                           yFract="0.49820024"
                           z3="4.25697"
                           zFract="0.19158281"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28878"
                           xFract="0.50814929"
                           y3="6.32155"
                           yFract="0.74899882"
                           z3="8.48237"
                           zFract="0.38174482"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25937"
                           xFract="0.50466469"
                           y3="4.17134"
                           yFract="0.4942346"
                           z3="6.41408"
                           zFract="0.28866247"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14915"
                           xFract="0.25463863"
                           y3="0.00703"
                           yFract="0.00083294"
                           z3="8.4452"
                           zFract="0.38007201"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33739"
                           xFract="0.75087559"
                           y3="0.13728"
                           yFract="0.0162654"
                           z3="8.50297"
                           zFract="0.38267192"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27701"
                           xFract="0.98068839"
                           y3="2.05161"
                           yFract="0.24308175"
                           z3="6.22147"
                           zFract="0.27999415"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14779"
                           xFract="0.25447749"
                           y3="8.43149"
                           yFract="0.99899171"
                           z3="6.31458"
                           zFract="0.28418452"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0020"
                           xFract="-0.00023697"
                           y3="-0.01561"
                           yFract="-0.00184953"
                           z3="4.2598"
                           zFract="0.19171017"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39603"
                           xFract="0.99479028"
                           y3="0.15062"
                           yFract="0.01784597"
                           z3="8.41398"
                           zFract="0.37866697"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10696"
                           xFract="0.24963981"
                           y3="2.11156"
                           yFract="0.25018483"
                           z3="4.26967"
                           zFract="0.19215437"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94919"
                           xFract="0.23094668"
                           y3="2.0459"
                           yFract="0.24240521"
                           z3="8.53458"
                           zFract="0.38409451"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39511"
                           xFract="0.52074763"
                           y3="2.1096"
                           yFract="0.24995261"
                           z3="6.26787"
                           zFract="0.28208236"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33531"
                           xFract="0.75062915"
                           y3="8.35912"
                           yFract="0.99041706"
                           z3="6.31741"
                           zFract="0.28431188"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21219"
                           xFract="0.49907464"
                           y3="8.30954"
                           yFract="0.98454265"
                           z3="4.21063"
                           zFract="0.1894973"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30412"
                           xFract="0.50996682"
                           y3="0.00596"
                           yFract="0.00070616"
                           z3="8.47099"
                           zFract="0.38123267"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30688"
                           xFract="0.74726066"
                           y3="2.07202"
                           yFract="0.2455"
                           z3="4.04846"
                           zFract="0.18219892"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64636"
                           xFract="0.78748341"
                           y3="2.18222"
                           yFract="0.25855687"
                           z3="8.94852"
                           zFract="0.40272367"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41217"
                           xFract="0.99670261"
                           y3="6.46226"
                           yFract="0.76567062"
                           z3="6.41485"
                           zFract="0.28869712"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95215"
                           xFract="0.23129739"
                           y3="4.23912"
                           yFract="0.5022654"
                           z3="6.43413"
                           zFract="0.28956481"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02057"
                           xFract="0.0024372"
                           y3="4.20776"
                           yFract="0.49854976"
                           z3="4.11914"
                           zFract="0.18537984"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.26419"
                           xFract="0.03130213"
                           y3="4.00867"
                           yFract="0.4749609"
                           z3="9.31223"
                           zFract="0.41909226"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20996"
                           xFract="0.2618436"
                           y3="6.32028"
                           yFract="0.74884834"
                           z3="4.29176"
                           zFract="0.19314851"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04343"
                           xFract="0.24211256"
                           y3="6.3686"
                           yFract="0.75457346"
                           z3="8.4876"
                           zFract="0.3819802"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22716"
                           xFract="0.50084834"
                           y3="6.34008"
                           yFract="0.75119431"
                           z3="6.30305"
                           zFract="0.28366562"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43195"
                           xFract="0.76207938"
                           y3="4.3086"
                           yFract="0.51049763"
                           z3="6.33523"
                           zFract="0.28511386"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18918"
                           xFract="0.49634834"
                           y3="4.36773"
                           yFract="0.51750355"
                           z3="4.29313"
                           zFract="0.19321017"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14933"
                           xFract="0.49162678"
                           y3="4.22062"
                           yFract="0.50007346"
                           z3="8.51293"
                           zFract="0.38312016"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18718"
                           xFract="0.7330782"
                           y3="6.35864"
                           yFract="0.75339336"
                           z3="4.23251"
                           zFract="0.190482"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4258"
                           xFract="0.76135071"
                           y3="6.23484"
                           yFract="0.73872512"
                           z3="8.48194"
                           zFract="0.38172547"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.83">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08438"
                           xFract="0.00999763"
                           y3="4.12974"
                           yFract="0.48930569"
                           z3="10.25944"
                           zFract="0.46172097"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02232"
                           xFract="-0.00264455"
                           y3="6.40794"
                           yFract="0.7592346"
                           z3="8.4933"
                           zFract="0.38223672"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3370"
                           xFract="0.75082938"
                           y3="0.00919"
                           yFract="0.00108886"
                           z3="4.2479"
                           zFract="0.19117462"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06474"
                           xFract="0.00767062"
                           y3="2.06292"
                           yFract="0.2444218"
                           z3="8.8526"
                           zFract="0.39840684"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34913"
                           xFract="0.75226659"
                           y3="6.33245"
                           yFract="0.75029028"
                           z3="6.38141"
                           zFract="0.28719217"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20184"
                           xFract="0.49784834"
                           y3="6.34293"
                           yFract="0.75153199"
                           z3="4.23529"
                           zFract="0.19060711"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42203"
                           xFract="0.99787085"
                           y3="0.05853"
                           yFract="0.00693483"
                           z3="6.36608"
                           zFract="0.28650225"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41456"
                           xFract="0.99698578"
                           y3="2.10286"
                           yFract="0.24915403"
                           z3="4.18822"
                           zFract="0.18848875"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12907"
                           xFract="0.25225948"
                           y3="4.1782"
                           yFract="0.49504739"
                           z3="8.4904"
                           zFract="0.38210621"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08894"
                           xFract="0.24750474"
                           y3="4.20695"
                           yFract="0.49845379"
                           z3="4.25788"
                           zFract="0.19162376"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06459"
                           xFract="0.24461967"
                           y3="6.34098"
                           yFract="0.75130095"
                           z3="6.37786"
                           zFract="0.2870324"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09416"
                           xFract="0.24812322"
                           y3="0.00317"
                           yFract="0.00037559"
                           z3="4.22098"
                           zFract="0.1899631"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25034"
                           xFract="0.50359479"
                           y3="0.03835"
                           yFract="0.00454384"
                           z3="6.32123"
                           zFract="0.2844838"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35737"
                           xFract="0.75324289"
                           y3="2.12251"
                           yFract="0.25148223"
                           z3="6.40549"
                           zFract="0.28827588"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33477"
                           xFract="0.75056517"
                           y3="4.12942"
                           yFract="0.48926777"
                           z3="8.63915"
                           zFract="0.38880063"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27924"
                           xFract="0.50701896"
                           y3="2.13518"
                           yFract="0.25298341"
                           z3="8.57771"
                           zFract="0.38603555"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42249"
                           xFract="0.99792536"
                           y3="6.31244"
                           yFract="0.74791943"
                           z3="4.26582"
                           zFract="0.1919811"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40025"
                           xFract="0.99529028"
                           y3="4.18792"
                           yFract="0.49619905"
                           z3="6.39128"
                           zFract="0.28763636"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21532"
                           xFract="0.4994455"
                           y3="2.10937"
                           yFract="0.24992536"
                           z3="4.2101"
                           zFract="0.18947345"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03199"
                           xFract="0.24075711"
                           y3="2.0961"
                           yFract="0.24835308"
                           z3="6.40829"
                           zFract="0.28840189"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35733"
                           xFract="0.75323815"
                           y3="4.20489"
                           yFract="0.49820972"
                           z3="4.25742"
                           zFract="0.19160306"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28653"
                           xFract="0.5078827"
                           y3="6.32226"
                           yFract="0.74908294"
                           z3="8.48292"
                           zFract="0.38176958"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2593"
                           xFract="0.5046564"
                           y3="4.17093"
                           yFract="0.49418602"
                           z3="6.41326"
                           zFract="0.28862556"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14881"
                           xFract="0.25459834"
                           y3="0.00773"
                           yFract="0.00091588"
                           z3="8.44341"
                           zFract="0.37999145"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33773"
                           xFract="0.75091588"
                           y3="0.13224"
                           yFract="0.01566825"
                           z3="8.50254"
                           zFract="0.38265257"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27869"
                           xFract="0.98088744"
                           y3="2.05078"
                           yFract="0.24298341"
                           z3="6.21815"
                           zFract="0.27984473"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14843"
                           xFract="0.25455332"
                           y3="8.43048"
                           yFract="0.99887204"
                           z3="6.31339"
                           zFract="0.28413096"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0020"
                           xFract="-0.00023697"
                           y3="-0.01503"
                           yFract="-0.00178081"
                           z3="4.25899"
                           zFract="0.19167372"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39563"
                           xFract="0.99474289"
                           y3="0.15132"
                           yFract="0.01792891"
                           z3="8.41369"
                           zFract="0.37865392"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10669"
                           xFract="0.24960782"
                           y3="2.11124"
                           yFract="0.25014692"
                           z3="4.26917"
                           zFract="0.19213186"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94708"
                           xFract="0.23069668"
                           y3="2.04747"
                           yFract="0.24259123"
                           z3="8.53359"
                           zFract="0.38404995"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39527"
                           xFract="0.52076659"
                           y3="2.10863"
                           yFract="0.24983768"
                           z3="6.26719"
                           zFract="0.28205176"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3345"
                           xFract="0.75053318"
                           y3="8.35801"
                           yFract="0.99028555"
                           z3="6.31646"
                           zFract="0.28426913"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21201"
                           xFract="0.49905332"
                           y3="8.30974"
                           yFract="0.98456635"
                           z3="4.21067"
                           zFract="0.1894991"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30333"
                           xFract="0.50987322"
                           y3="0.0076"
                           yFract="0.00090047"
                           z3="8.47123"
                           zFract="0.38124347"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30626"
                           xFract="0.7471872"
                           y3="2.07217"
                           yFract="0.24551777"
                           z3="4.04899"
                           zFract="0.18222277"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64384"
                           xFract="0.78718483"
                           y3="2.18005"
                           yFract="0.25829976"
                           z3="8.94309"
                           zFract="0.4024793"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41143"
                           xFract="0.99661493"
                           y3="6.46185"
                           yFract="0.76562204"
                           z3="6.41546"
                           zFract="0.28872457"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95327"
                           xFract="0.23143009"
                           y3="4.24012"
                           yFract="0.50238389"
                           z3="6.43214"
                           zFract="0.28947525"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02045"
                           xFract="0.00242299"
                           y3="4.20738"
                           yFract="0.49850474"
                           z3="4.1189"
                           zFract="0.18536904"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.26117"
                           xFract="0.03094431"
                           y3="4.01138"
                           yFract="0.47528199"
                           z3="9.30533"
                           zFract="0.41878173"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20968"
                           xFract="0.26181043"
                           y3="6.32095"
                           yFract="0.74892773"
                           z3="4.29094"
                           zFract="0.19311161"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04402"
                           xFract="0.24218246"
                           y3="6.36676"
                           yFract="0.75435545"
                           z3="8.48717"
                           zFract="0.38196085"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22772"
                           xFract="0.50091469"
                           y3="6.34042"
                           yFract="0.7512346"
                           z3="6.30324"
                           zFract="0.28367417"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43184"
                           xFract="0.76206635"
                           y3="4.3084"
                           yFract="0.51047393"
                           z3="6.33469"
                           zFract="0.28508956"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1899"
                           xFract="0.49643365"
                           y3="4.36869"
                           yFract="0.5176173"
                           z3="4.29337"
                           zFract="0.19322097"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14956"
                           xFract="0.49165403"
                           y3="4.21962"
                           yFract="0.49995498"
                           z3="8.51288"
                           zFract="0.38311791"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1875"
                           xFract="0.73311611"
                           y3="6.35882"
                           yFract="0.75341469"
                           z3="4.23202"
                           zFract="0.19045995"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42435"
                           xFract="0.76117891"
                           y3="6.23591"
                           yFract="0.7388519"
                           z3="8.48153"
                           zFract="0.38170702"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.84">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08471"
                           xFract="0.01003673"
                           y3="4.12659"
                           yFract="0.48893246"
                           z3="10.26223"
                           zFract="0.46184653"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02197"
                           xFract="-0.00260308"
                           y3="6.40973"
                           yFract="0.75944668"
                           z3="8.49392"
                           zFract="0.38226463"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3371"
                           xFract="0.75084123"
                           y3="0.00949"
                           yFract="0.00112441"
                           z3="4.24808"
                           zFract="0.19118272"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0663"
                           xFract="0.00785545"
                           y3="2.06204"
                           yFract="0.24431754"
                           z3="8.85498"
                           zFract="0.39851395"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34864"
                           xFract="0.75220853"
                           y3="6.33243"
                           yFract="0.75028791"
                           z3="6.38192"
                           zFract="0.28721512"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2011"
                           xFract="0.49776066"
                           y3="6.34388"
                           yFract="0.75164455"
                           z3="4.23529"
                           zFract="0.19060711"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42171"
                           xFract="0.99783294"
                           y3="0.05762"
                           yFract="0.00682701"
                           z3="6.36605"
                           zFract="0.2865009"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41463"
                           xFract="0.99699408"
                           y3="2.10343"
                           yFract="0.24922156"
                           z3="4.18766"
                           zFract="0.18846355"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12821"
                           xFract="0.25215758"
                           y3="4.17808"
                           yFract="0.49503318"
                           z3="8.49156"
                           zFract="0.38215842"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08852"
                           xFract="0.24745498"
                           y3="4.20701"
                           yFract="0.4984609"
                           z3="4.25815"
                           zFract="0.19163591"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06459"
                           xFract="0.24461967"
                           y3="6.34071"
                           yFract="0.75126896"
                           z3="6.3772"
                           zFract="0.2870027"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09425"
                           xFract="0.24813389"
                           y3="0.00316"
                           yFract="0.00037441"
                           z3="4.22096"
                           zFract="0.1899622"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2503"
                           xFract="0.50359005"
                           y3="0.03811"
                           yFract="0.0045154"
                           z3="6.32043"
                           zFract="0.28444779"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35728"
                           xFract="0.75323223"
                           y3="2.12271"
                           yFract="0.25150592"
                           z3="6.40455"
                           zFract="0.28823357"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33668"
                           xFract="0.75079147"
                           y3="4.12905"
                           yFract="0.48922393"
                           z3="8.63889"
                           zFract="0.38878893"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27908"
                           xFract="0.5070"
                           y3="2.13598"
                           yFract="0.2530782"
                           z3="8.57768"
                           zFract="0.3860342"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42237"
                           xFract="0.99791114"
                           y3="6.3127"
                           yFract="0.74795024"
                           z3="4.2657"
                           zFract="0.1919757"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40017"
                           xFract="0.99528081"
                           y3="4.18902"
                           yFract="0.49632938"
                           z3="6.39204"
                           zFract="0.28767057"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2153"
                           xFract="0.49944313"
                           y3="2.10889"
                           yFract="0.24986848"
                           z3="4.20976"
                           zFract="0.18945815"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03289"
                           xFract="0.24086374"
                           y3="2.09586"
                           yFract="0.24832464"
                           z3="6.4086"
                           zFract="0.28841584"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35731"
                           xFract="0.75323578"
                           y3="4.20483"
                           yFract="0.49820261"
                           z3="4.2571"
                           zFract="0.19158866"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28812"
                           xFract="0.50807109"
                           y3="6.32176"
                           yFract="0.7490237"
                           z3="8.48253"
                           zFract="0.38175203"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25935"
                           xFract="0.50466232"
                           y3="4.17122"
                           yFract="0.49422038"
                           z3="6.41384"
                           zFract="0.28865167"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14905"
                           xFract="0.25462678"
                           y3="0.00723"
                           yFract="0.00085664"
                           z3="8.44467"
                           zFract="0.38004815"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33749"
                           xFract="0.75088744"
                           y3="0.1358"
                           yFract="0.01609005"
                           z3="8.50285"
                           zFract="0.38266652"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2775"
                           xFract="0.98074645"
                           y3="2.05137"
                           yFract="0.24305332"
                           z3="6.2205"
                           zFract="0.2799505"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14798"
                           xFract="0.2545"
                           y3="8.43119"
                           yFract="0.99895616"
                           z3="6.31423"
                           zFract="0.28416877"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0020"
                           xFract="-0.00023697"
                           y3="-0.01544"
                           yFract="-0.00182938"
                           z3="4.25956"
                           zFract="0.19169937"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39592"
                           xFract="0.99477725"
                           y3="0.15083"
                           yFract="0.01787085"
                           z3="8.4139"
                           zFract="0.37866337"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10688"
                           xFract="0.24963033"
                           y3="2.11147"
                           yFract="0.25017417"
                           z3="4.26952"
                           zFract="0.19214761"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94857"
                           xFract="0.23087322"
                           y3="2.04636"
                           yFract="0.24245972"
                           z3="8.53429"
                           zFract="0.38408146"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39516"
                           xFract="0.52075355"
                           y3="2.10931"
                           yFract="0.24991825"
                           z3="6.26767"
                           zFract="0.28207336"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33507"
                           xFract="0.75060071"
                           y3="8.35879"
                           yFract="0.99037796"
                           z3="6.31713"
                           zFract="0.28429928"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21214"
                           xFract="0.49906872"
                           y3="8.3096"
                           yFract="0.98454976"
                           z3="4.21064"
                           zFract="0.18949775"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30389"
                           xFract="0.50993957"
                           y3="0.00644"
                           yFract="0.00076303"
                           z3="8.47106"
                           zFract="0.38123582"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3067"
                           xFract="0.74723934"
                           y3="2.07207"
                           yFract="0.24550592"
                           z3="4.04861"
                           zFract="0.18220567"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64562"
                           xFract="0.78739573"
                           y3="2.18158"
                           yFract="0.25848104"
                           z3="8.94693"
                           zFract="0.40265212"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41195"
                           xFract="0.99667654"
                           y3="6.46214"
                           yFract="0.7656564"
                           z3="6.41503"
                           zFract="0.28870522"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95248"
                           xFract="0.23133649"
                           y3="4.23941"
                           yFract="0.50229976"
                           z3="6.43354"
                           zFract="0.28953825"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02053"
                           xFract="0.00243246"
                           y3="4.20765"
                           yFract="0.49853673"
                           z3="4.11907"
                           zFract="0.18537669"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.26331"
                           xFract="0.03119787"
                           y3="4.00946"
                           yFract="0.4750545"
                           z3="9.3102"
                           zFract="0.4190009"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20988"
                           xFract="0.26183412"
                           y3="6.32048"
                           yFract="0.74887204"
                           z3="4.29152"
                           zFract="0.19313771"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04361"
                           xFract="0.24213389"
                           y3="6.36806"
                           yFract="0.75450948"
                           z3="8.48747"
                           zFract="0.38197435"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22732"
                           xFract="0.5008673"
                           y3="6.34018"
                           yFract="0.75120616"
                           z3="6.30311"
                           zFract="0.28366832"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43191"
                           xFract="0.76207464"
                           y3="4.30854"
                           yFract="0.51049052"
                           z3="6.33507"
                           zFract="0.28510666"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18939"
                           xFract="0.49637322"
                           y3="4.36801"
                           yFract="0.51753673"
                           z3="4.2932"
                           zFract="0.19321332"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1494"
                           xFract="0.49163507"
                           y3="4.22032"
                           yFract="0.50003791"
                           z3="8.51292"
                           zFract="0.38311971"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18728"
                           xFract="0.73309005"
                           y3="6.3587"
                           yFract="0.75340047"
                           z3="4.23237"
                           zFract="0.1904757"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42538"
                           xFract="0.76130095"
                           y3="6.23515"
                           yFract="0.73876185"
                           z3="8.48182"
                           zFract="0.38172007"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.85">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08479"
                           xFract="0.01004621"
                           y3="4.12591"
                           yFract="0.4888519"
                           z3="10.26284"
                           zFract="0.46187399"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02189"
                           xFract="-0.0025936"
                           y3="6.41012"
                           yFract="0.75949289"
                           z3="8.49406"
                           zFract="0.38227093"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33712"
                           xFract="0.7508436"
                           y3="0.00955"
                           yFract="0.00113152"
                           z3="4.24811"
                           zFract="0.19118407"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06663"
                           xFract="0.00789455"
                           y3="2.06185"
                           yFract="0.24429502"
                           z3="8.8555"
                           zFract="0.39853735"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34853"
                           xFract="0.7521955"
                           y3="6.33243"
                           yFract="0.75028791"
                           z3="6.38203"
                           zFract="0.28722007"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20094"
                           xFract="0.49774171"
                           y3="6.34409"
                           yFract="0.75166943"
                           z3="4.23529"
                           zFract="0.19060711"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42164"
                           xFract="0.99782464"
                           y3="0.05743"
                           yFract="0.0068045"
                           z3="6.36605"
                           zFract="0.2865009"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41465"
                           xFract="0.99699645"
                           y3="2.10356"
                           yFract="0.24923697"
                           z3="4.18754"
                           zFract="0.18845815"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12802"
                           xFract="0.25213507"
                           y3="4.17805"
                           yFract="0.49502962"
                           z3="8.49181"
                           zFract="0.38216967"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08843"
                           xFract="0.24744431"
                           y3="4.20703"
                           yFract="0.49846327"
                           z3="4.25821"
                           zFract="0.19163861"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06459"
                           xFract="0.24461967"
                           y3="6.34065"
                           yFract="0.75126185"
                           z3="6.37706"
                           zFract="0.2869964"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09427"
                           xFract="0.24813626"
                           y3="0.00316"
                           yFract="0.00037441"
                           z3="4.22096"
                           zFract="0.1899622"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2503"
                           xFract="0.50359005"
                           y3="0.03806"
                           yFract="0.00450948"
                           z3="6.32025"
                           zFract="0.28443969"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35727"
                           xFract="0.75323104"
                           y3="2.12275"
                           yFract="0.25151066"
                           z3="6.40434"
                           zFract="0.28822412"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3371"
                           xFract="0.75084123"
                           y3="4.12896"
                           yFract="0.48921327"
                           z3="8.63884"
                           zFract="0.38878668"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27905"
                           xFract="0.50699645"
                           y3="2.13615"
                           yFract="0.25309834"
                           z3="8.57768"
                           zFract="0.3860342"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42234"
                           xFract="0.99790758"
                           y3="6.31275"
                           yFract="0.74795616"
                           z3="4.26567"
                           zFract="0.19197435"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40015"
                           xFract="0.99527844"
                           y3="4.18926"
                           yFract="0.49635782"
                           z3="6.39221"
                           zFract="0.28767822"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2153"
                           xFract="0.49944313"
                           y3="2.10879"
                           yFract="0.24985664"
                           z3="4.20969"
                           zFract="0.189455"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03308"
                           xFract="0.24088626"
                           y3="2.09581"
                           yFract="0.24831872"
                           z3="6.40867"
                           zFract="0.28841899"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3573"
                           xFract="0.7532346"
                           y3="4.20482"
                           yFract="0.49820142"
                           z3="4.25703"
                           zFract="0.19158551"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.28846"
                           xFract="0.50811137"
                           y3="6.32165"
                           yFract="0.74901066"
                           z3="8.48245"
                           zFract="0.38174842"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25936"
                           xFract="0.50466351"
                           y3="4.17128"
                           yFract="0.49422749"
                           z3="6.41397"
                           zFract="0.28865752"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1491"
                           xFract="0.2546327"
                           y3="0.00713"
                           yFract="0.00084479"
                           z3="8.44495"
                           zFract="0.38006076"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33744"
                           xFract="0.75088152"
                           y3="0.13657"
                           yFract="0.01618128"
                           z3="8.50291"
                           zFract="0.38266922"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27725"
                           xFract="0.98071682"
                           y3="2.05149"
                           yFract="0.24306754"
                           z3="6.22101"
                           zFract="0.27997345"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14788"
                           xFract="0.25448815"
                           y3="8.43135"
                           yFract="0.99897512"
                           z3="6.31441"
                           zFract="0.28417687"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0020"
                           xFract="-0.00023697"
                           y3="-0.01553"
                           yFract="-0.00184005"
                           z3="4.25968"
                           zFract="0.19170477"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39598"
                           xFract="0.99478436"
                           y3="0.15072"
                           yFract="0.01785782"
                           z3="8.41394"
                           zFract="0.37866517"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10693"
                           xFract="0.24963626"
                           y3="2.11152"
                           yFract="0.25018009"
                           z3="4.2696"
                           zFract="0.19215122"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9489"
                           xFract="0.23091232"
                           y3="2.04612"
                           yFract="0.24243128"
                           z3="8.53444"
                           zFract="0.38408821"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39514"
                           xFract="0.52075118"
                           y3="2.10946"
                           yFract="0.24993602"
                           z3="6.26777"
                           zFract="0.28207786"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3352"
                           xFract="0.75061611"
                           y3="8.35896"
                           yFract="0.9903981"
                           z3="6.31728"
                           zFract="0.28430603"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21216"
                           xFract="0.49907109"
                           y3="8.30956"
                           yFract="0.98454502"
                           z3="4.21064"
                           zFract="0.18949775"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30401"
                           xFract="0.50995379"
                           y3="0.00619"
                           yFract="0.00073341"
                           z3="8.47103"
                           zFract="0.38123447"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30679"
                           xFract="0.74725"
                           y3="2.07205"
                           yFract="0.24550355"
                           z3="4.04853"
                           zFract="0.18220207"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64601"
                           xFract="0.78744194"
                           y3="2.18191"
                           yFract="0.25852014"
                           z3="8.94776"
                           zFract="0.40268947"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41207"
                           xFract="0.99669076"
                           y3="6.4622"
                           yFract="0.76566351"
                           z3="6.41494"
                           zFract="0.28870117"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95231"
                           xFract="0.23131635"
                           y3="4.23926"
                           yFract="0.50228199"
                           z3="6.43385"
                           zFract="0.28955221"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02055"
                           xFract="0.00243483"
                           y3="4.20771"
                           yFract="0.49854384"
                           z3="4.11911"
                           zFract="0.18537849"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.26377"
                           xFract="0.03125237"
                           y3="4.00905"
                           yFract="0.47500592"
                           z3="9.31126"
                           zFract="0.4190486"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20992"
                           xFract="0.26183886"
                           y3="6.32038"
                           yFract="0.74886019"
                           z3="4.29165"
                           zFract="0.19314356"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04351"
                           xFract="0.24212204"
                           y3="6.36834"
                           yFract="0.75454265"
                           z3="8.48754"
                           zFract="0.3819775"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22724"
                           xFract="0.50085782"
                           y3="6.34013"
                           yFract="0.75120024"
                           z3="6.30308"
                           zFract="0.28366697"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43193"
                           xFract="0.76207701"
                           y3="4.30858"
                           yFract="0.51049526"
                           z3="6.33515"
                           zFract="0.28511026"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18928"
                           xFract="0.49636019"
                           y3="4.36786"
                           yFract="0.51751896"
                           z3="4.29316"
                           zFract="0.19321152"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14937"
                           xFract="0.49163152"
                           y3="4.22048"
                           yFract="0.50005687"
                           z3="8.51292"
                           zFract="0.38311971"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18723"
                           xFract="0.73308412"
                           y3="6.35867"
                           yFract="0.75339692"
                           z3="4.23244"
                           zFract="0.19047885"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4256"
                           xFract="0.76132701"
                           y3="6.23499"
                           yFract="0.73874289"
                           z3="8.48188"
                           zFract="0.38172277"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.86">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08505"
                           xFract="0.01007701"
                           y3="4.12468"
                           yFract="0.48870616"
                           z3="10.26366"
                           zFract="0.46191089"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0218"
                           xFract="-0.00258294"
                           y3="6.41074"
                           yFract="0.75956635"
                           z3="8.49435"
                           zFract="0.38228398"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3371"
                           xFract="0.75084123"
                           y3="0.00953"
                           yFract="0.00112915"
                           z3="4.24817"
                           zFract="0.19118677"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06709"
                           xFract="0.00794905"
                           y3="2.06196"
                           yFract="0.24430806"
                           z3="8.85611"
                           zFract="0.39856481"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34856"
                           xFract="0.75219905"
                           y3="6.33248"
                           yFract="0.75029384"
                           z3="6.38222"
                           zFract="0.28722862"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20145"
                           xFract="0.49780213"
                           y3="6.34289"
                           yFract="0.75152725"
                           z3="4.23522"
                           zFract="0.19060396"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42161"
                           xFract="0.99782109"
                           y3="0.05771"
                           yFract="0.00683768"
                           z3="6.3663"
                           zFract="0.28651215"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41469"
                           xFract="0.99700118"
                           y3="2.10358"
                           yFract="0.24923934"
                           z3="4.18833"
                           zFract="0.1884937"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1279"
                           xFract="0.25212085"
                           y3="4.17825"
                           yFract="0.49505332"
                           z3="8.49222"
                           zFract="0.38218812"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0886"
                           xFract="0.24746445"
                           y3="4.20705"
                           yFract="0.49846564"
                           z3="4.25835"
                           zFract="0.19164491"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06478"
                           xFract="0.24464218"
                           y3="6.34062"
                           yFract="0.75125829"
                           z3="6.37732"
                           zFract="0.2870081"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09414"
                           xFract="0.24812085"
                           y3="0.00332"
                           yFract="0.00039336"
                           z3="4.22121"
                           zFract="0.18997345"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25031"
                           xFract="0.50359123"
                           y3="0.03816"
                           yFract="0.00452133"
                           z3="6.32041"
                           zFract="0.28444689"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35686"
                           xFract="0.75318246"
                           y3="2.12284"
                           yFract="0.25152133"
                           z3="6.40416"
                           zFract="0.28821602"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33795"
                           xFract="0.75094194"
                           y3="4.12882"
                           yFract="0.48919668"
                           z3="8.63873"
                           zFract="0.38878173"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27901"
                           xFract="0.50699171"
                           y3="2.13634"
                           yFract="0.25312085"
                           z3="8.57763"
                           zFract="0.38603195"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42223"
                           xFract="0.99789455"
                           y3="6.31277"
                           yFract="0.74795853"
                           z3="4.2656"
                           zFract="0.1919712"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40004"
                           xFract="0.9952654"
                           y3="4.18953"
                           yFract="0.49638981"
                           z3="6.39249"
                           zFract="0.28769082"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21539"
                           xFract="0.49945379"
                           y3="2.10897"
                           yFract="0.24987796"
                           z3="4.20976"
                           zFract="0.18945815"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03332"
                           xFract="0.24091469"
                           y3="2.09576"
                           yFract="0.2483128"
                           z3="6.40878"
                           zFract="0.28842394"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35711"
                           xFract="0.75321209"
                           y3="4.20498"
                           yFract="0.49822038"
                           z3="4.2571"
                           zFract="0.19158866"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2891"
                           xFract="0.5081872"
                           y3="6.3214"
                           yFract="0.74898104"
                           z3="8.48255"
                           zFract="0.38175293"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25955"
                           xFract="0.50468602"
                           y3="4.1715"
                           yFract="0.49425355"
                           z3="6.41419"
                           zFract="0.28866742"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14934"
                           xFract="0.25466114"
                           y3="0.0068"
                           yFract="0.00080569"
                           z3="8.44541"
                           zFract="0.38008146"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33726"
                           xFract="0.75086019"
                           y3="0.13782"
                           yFract="0.01632938"
                           z3="8.50299"
                           zFract="0.38267282"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27727"
                           xFract="0.98071919"
                           y3="2.05138"
                           yFract="0.2430545"
                           z3="6.22099"
                           zFract="0.27997255"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14776"
                           xFract="0.25447393"
                           y3="8.43149"
                           yFract="0.99899171"
                           z3="6.31419"
                           zFract="0.28416697"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00197"
                           xFract="-0.00023341"
                           y3="-0.01526"
                           yFract="-0.00180806"
                           z3="4.25958"
                           zFract="0.19170027"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3957"
                           xFract="0.99475118"
                           y3="0.1503"
                           yFract="0.01780806"
                           z3="8.41396"
                           zFract="0.37866607"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10703"
                           xFract="0.2496481"
                           y3="2.11144"
                           yFract="0.25017062"
                           z3="4.26996"
                           zFract="0.19216742"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.94971"
                           xFract="0.23100829"
                           y3="2.04574"
                           yFract="0.24238626"
                           z3="8.53464"
                           zFract="0.38409721"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39525"
                           xFract="0.52076422"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="6.26806"
                           zFract="0.28209091"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3351"
                           xFract="0.75060427"
                           y3="8.3591"
                           yFract="0.99041469"
                           z3="6.31748"
                           zFract="0.28431503"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2120"
                           xFract="0.49905213"
                           y3="8.30989"
                           yFract="0.98458412"
                           z3="4.21056"
                           zFract="0.18949415"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30434"
                           xFract="0.50999289"
                           y3="0.00613"
                           yFract="0.0007263"
                           z3="8.47098"
                           zFract="0.38123222"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30686"
                           xFract="0.74725829"
                           y3="2.07203"
                           yFract="0.24550118"
                           z3="4.04848"
                           zFract="0.18219982"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6465"
                           xFract="0.7875"
                           y3="2.18221"
                           yFract="0.25855569"
                           z3="8.94919"
                           zFract="0.40275383"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41208"
                           xFract="0.99669194"
                           y3="6.4621"
                           yFract="0.76565166"
                           z3="6.41465"
                           zFract="0.28868812"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95203"
                           xFract="0.23128318"
                           y3="4.23922"
                           yFract="0.50227725"
                           z3="6.43417"
                           zFract="0.28956661"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0206"
                           xFract="0.00244076"
                           y3="4.20752"
                           yFract="0.49852133"
                           z3="4.11911"
                           zFract="0.18537849"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.26468"
                           xFract="0.03136019"
                           y3="4.0085"
                           yFract="0.47494076"
                           z3="9.31301"
                           zFract="0.41912736"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20952"
                           xFract="0.26179147"
                           y3="6.32063"
                           yFract="0.74888981"
                           z3="4.29168"
                           zFract="0.19314491"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0435"
                           xFract="0.24212085"
                           y3="6.36871"
                           yFract="0.75458649"
                           z3="8.48759"
                           zFract="0.38197975"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22703"
                           xFract="0.50083294"
                           y3="6.3402"
                           yFract="0.75120853"
                           z3="6.30277"
                           zFract="0.28365302"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43196"
                           xFract="0.76208057"
                           y3="4.30847"
                           yFract="0.51048223"
                           z3="6.33516"
                           zFract="0.28511071"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18915"
                           xFract="0.49634479"
                           y3="4.36812"
                           yFract="0.51754976"
                           z3="4.29308"
                           zFract="0.19320792"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14903"
                           xFract="0.49159123"
                           y3="4.22057"
                           yFract="0.50006754"
                           z3="8.51305"
                           zFract="0.38312556"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1871"
                           xFract="0.73306872"
                           y3="6.35881"
                           yFract="0.75341351"
                           z3="4.23253"
                           zFract="0.1904829"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42585"
                           xFract="0.76135664"
                           y3="6.23445"
                           yFract="0.73867891"
                           z3="8.48171"
                           zFract="0.38171512"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.87">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08582"
                           xFract="0.01016825"
                           y3="4.12101"
                           yFract="0.48827133"
                           z3="10.26614"
                           zFract="0.4620225"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02152"
                           xFract="-0.00254976"
                           y3="6.41262"
                           yFract="0.7597891"
                           z3="8.49522"
                           zFract="0.38232313"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33705"
                           xFract="0.75083531"
                           y3="0.00945"
                           yFract="0.00111967"
                           z3="4.24832"
                           zFract="0.19119352"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.06846"
                           xFract="0.00811137"
                           y3="2.06228"
                           yFract="0.24434597"
                           z3="8.85795"
                           zFract="0.39864761"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34864"
                           xFract="0.75220853"
                           y3="6.33263"
                           yFract="0.75031161"
                           z3="6.38279"
                           zFract="0.28725428"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20296"
                           xFract="0.49798104"
                           y3="6.33928"
                           yFract="0.75109953"
                           z3="4.23502"
                           zFract="0.19059496"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42152"
                           xFract="0.99781043"
                           y3="0.05855"
                           yFract="0.0069372"
                           z3="6.36704"
                           zFract="0.28654545"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41479"
                           xFract="0.99701303"
                           y3="2.10364"
                           yFract="0.24924645"
                           z3="4.19069"
                           zFract="0.18859991"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12753"
                           xFract="0.25207701"
                           y3="4.17882"
                           yFract="0.49512085"
                           z3="8.49344"
                           zFract="0.38224302"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08911"
                           xFract="0.24752488"
                           y3="4.20713"
                           yFract="0.49847512"
                           z3="4.25879"
                           zFract="0.19166472"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06532"
                           xFract="0.24470616"
                           y3="6.34054"
                           yFract="0.75124882"
                           z3="6.37812"
                           zFract="0.2870441"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09376"
                           xFract="0.24807583"
                           y3="0.00379"
                           yFract="0.00044905"
                           z3="4.22198"
                           zFract="0.1900081"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25034"
                           xFract="0.50359479"
                           y3="0.03846"
                           yFract="0.00455687"
                           z3="6.32089"
                           zFract="0.2844685"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35563"
                           xFract="0.75303673"
                           y3="2.12312"
                           yFract="0.2515545"
                           z3="6.4036"
                           zFract="0.28819082"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.34053"
                           xFract="0.75124763"
                           y3="4.1284"
                           yFract="0.48914692"
                           z3="8.63841"
                           zFract="0.38876733"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27889"
                           xFract="0.50697749"
                           y3="2.1369"
                           yFract="0.2531872"
                           z3="8.57748"
                           zFract="0.3860252"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4219"
                           xFract="0.99785545"
                           y3="6.31283"
                           yFract="0.74796564"
                           z3="4.26539"
                           zFract="0.19196175"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39972"
                           xFract="0.99522749"
                           y3="4.19033"
                           yFract="0.4964846"
                           z3="6.39334"
                           zFract="0.28772907"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21567"
                           xFract="0.49948697"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="4.20998"
                           zFract="0.18946805"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03404"
                           xFract="0.2410"
                           y3="2.09562"
                           yFract="0.24829621"
                           z3="6.40911"
                           zFract="0.28843879"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35653"
                           xFract="0.75314336"
                           y3="4.20546"
                           yFract="0.49827725"
                           z3="4.2573"
                           zFract="0.19159766"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2910"
                           xFract="0.50841232"
                           y3="6.32065"
                           yFract="0.74889218"
                           z3="8.48286"
                           zFract="0.38176688"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26011"
                           xFract="0.50475237"
                           y3="4.17215"
                           yFract="0.49433057"
                           z3="6.41485"
                           zFract="0.28869712"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15007"
                           xFract="0.25474763"
                           y3="0.00582"
                           yFract="0.00068957"
                           z3="8.4468"
                           zFract="0.38014401"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33672"
                           xFract="0.75079621"
                           y3="0.14158"
                           yFract="0.01677488"
                           z3="8.50324"
                           zFract="0.38268407"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27733"
                           xFract="0.9807263"
                           y3="2.05104"
                           yFract="0.24301422"
                           z3="6.22091"
                           zFract="0.27996895"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14741"
                           xFract="0.25443246"
                           y3="8.43191"
                           yFract="0.99904147"
                           z3="6.31353"
                           zFract="0.28413726"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00188"
                           xFract="-0.00022275"
                           y3="-0.01445"
                           yFract="-0.00171209"
                           z3="4.25929"
                           zFract="0.19168722"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39485"
                           xFract="0.99465047"
                           y3="0.14906"
                           yFract="0.01766114"
                           z3="8.4140"
                           zFract="0.37866787"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10735"
                           xFract="0.24968602"
                           y3="2.11122"
                           yFract="0.25014455"
                           z3="4.27105"
                           zFract="0.19221647"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.95215"
                           xFract="0.23129739"
                           y3="2.04459"
                           yFract="0.24225"
                           z3="8.53525"
                           zFract="0.38412466"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3956"
                           xFract="0.52080569"
                           y3="2.10935"
                           yFract="0.24992299"
                           z3="6.26894"
                           zFract="0.28213051"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33482"
                           xFract="0.75057109"
                           y3="8.35951"
                           yFract="0.99046327"
                           z3="6.31808"
                           zFract="0.28434203"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21151"
                           xFract="0.49899408"
                           y3="8.31086"
                           yFract="0.98469905"
                           z3="4.21031"
                           zFract="0.1894829"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30534"
                           xFract="0.51011137"
                           y3="0.00595"
                           yFract="0.00070498"
                           z3="8.47083"
                           zFract="0.38122547"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30704"
                           xFract="0.74727962"
                           y3="2.0720"
                           yFract="0.24549763"
                           z3="4.04832"
                           zFract="0.18219262"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.64796"
                           xFract="0.78767299"
                           y3="2.18311"
                           yFract="0.25866232"
                           z3="8.95348"
                           zFract="0.40294689"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41214"
                           xFract="0.99669905"
                           y3="6.4618"
                           yFract="0.76561611"
                           z3="6.4138"
                           zFract="0.28864986"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95121"
                           xFract="0.23118602"
                           y3="4.23911"
                           yFract="0.50226422"
                           z3="6.43512"
                           zFract="0.28960936"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02075"
                           xFract="0.00245853"
                           y3="4.20695"
                           yFract="0.49845379"
                           z3="4.11913"
                           zFract="0.18537939"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.2674"
                           xFract="0.03168246"
                           y3="4.00688"
                           yFract="0.47474882"
                           z3="9.31824"
                           zFract="0.41936274"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20832"
                           xFract="0.26164929"
                           y3="6.32141"
                           yFract="0.74898223"
                           z3="4.29177"
                           zFract="0.19314896"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04346"
                           xFract="0.24211611"
                           y3="6.36982"
                           yFract="0.75471801"
                           z3="8.48774"
                           zFract="0.3819865"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2264"
                           xFract="0.50075829"
                           y3="6.3404"
                           yFract="0.75123223"
                           z3="6.30184"
                           zFract="0.28361116"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43203"
                           xFract="0.76208886"
                           y3="4.30814"
                           yFract="0.51044313"
                           z3="6.33519"
                           zFract="0.28511206"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18874"
                           xFract="0.49629621"
                           y3="4.36888"
                           yFract="0.51763981"
                           z3="4.29282"
                           zFract="0.19319622"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14802"
                           xFract="0.49147156"
                           y3="4.22086"
                           yFract="0.5001019"
                           z3="8.51343"
                           zFract="0.38314266"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18672"
                           xFract="0.7330237"
                           y3="6.35925"
                           yFract="0.75346564"
                           z3="4.23281"
                           zFract="0.1904955"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42661"
                           xFract="0.76144668"
                           y3="6.23282"
                           yFract="0.73848578"
                           z3="8.4812"
                           zFract="0.38169217"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.88">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08738"
                           xFract="0.01035308"
                           y3="4.11366"
                           yFract="0.48740047"
                           z3="10.27109"
                           zFract="0.46224527"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02095"
                           xFract="-0.00248223"
                           y3="6.41637"
                           yFract="0.76023341"
                           z3="8.49695"
                           zFract="0.38240099"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33695"
                           xFract="0.75082346"
                           y3="0.00931"
                           yFract="0.00110308"
                           z3="4.24863"
                           zFract="0.19120747"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07119"
                           xFract="0.00843483"
                           y3="2.06293"
                           yFract="0.24442299"
                           z3="8.86161"
                           zFract="0.39881233"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3488"
                           xFract="0.75222749"
                           y3="6.33292"
                           yFract="0.75034597"
                           z3="6.38392"
                           zFract="0.28730513"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20598"
                           xFract="0.49833886"
                           y3="6.33206"
                           yFract="0.75024408"
                           z3="4.23461"
                           zFract="0.19057651"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42135"
                           xFract="0.99779028"
                           y3="0.06025"
                           yFract="0.00713863"
                           z3="6.36854"
                           zFract="0.28661296"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41501"
                           xFract="0.9970391"
                           y3="2.10377"
                           yFract="0.24926185"
                           z3="4.19543"
                           zFract="0.18881323"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12679"
                           xFract="0.25198934"
                           y3="4.17998"
                           yFract="0.49525829"
                           z3="8.49588"
                           zFract="0.38235284"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09014"
                           xFract="0.24764692"
                           y3="4.20728"
                           yFract="0.49849289"
                           z3="4.25966"
                           zFract="0.19170387"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06641"
                           xFract="0.24483531"
                           y3="6.34037"
                           yFract="0.75122867"
                           z3="6.3797"
                           zFract="0.28711521"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09299"
                           xFract="0.2479846"
                           y3="0.00473"
                           yFract="0.00056043"
                           z3="4.22351"
                           zFract="0.19007696"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25041"
                           xFract="0.50360308"
                           y3="0.03907"
                           yFract="0.00462915"
                           z3="6.32185"
                           zFract="0.2845117"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35317"
                           xFract="0.75274526"
                           y3="2.12366"
                           yFract="0.25161848"
                           z3="6.40249"
                           zFract="0.28814086"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.34568"
                           xFract="0.75185782"
                           y3="4.12755"
                           yFract="0.48904621"
                           z3="8.63778"
                           zFract="0.38873897"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27864"
                           xFract="0.50694787"
                           y3="2.13804"
                           yFract="0.25332227"
                           z3="8.57717"
                           zFract="0.38601125"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42123"
                           xFract="0.99777607"
                           y3="6.31295"
                           yFract="0.74797986"
                           z3="4.26495"
                           zFract="0.19194194"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39909"
                           xFract="0.99515284"
                           y3="4.19194"
                           yFract="0.49667536"
                           z3="6.39504"
                           zFract="0.28780558"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21624"
                           xFract="0.4995545"
                           y3="2.11062"
                           yFract="0.25007346"
                           z3="4.21042"
                           zFract="0.18948785"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03549"
                           xFract="0.2411718"
                           y3="2.09535"
                           yFract="0.24826422"
                           z3="6.40979"
                           zFract="0.2884694"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35538"
                           xFract="0.75300711"
                           y3="4.20642"
                           yFract="0.498391"
                           z3="4.25769"
                           zFract="0.19161521"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2948"
                           xFract="0.50886256"
                           y3="6.31915"
                           yFract="0.74871445"
                           z3="8.48348"
                           zFract="0.38179478"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26125"
                           xFract="0.50488744"
                           y3="4.17346"
                           yFract="0.49448578"
                           z3="6.41618"
                           zFract="0.28875698"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15151"
                           xFract="0.25491825"
                           y3="0.00386"
                           yFract="0.00045735"
                           z3="8.44959"
                           zFract="0.38026958"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33565"
                           xFract="0.75066943"
                           y3="0.14908"
                           yFract="0.01766351"
                           z3="8.50373"
                           zFract="0.38270612"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27745"
                           xFract="0.98074052"
                           y3="2.05036"
                           yFract="0.24293365"
                           z3="6.22077"
                           zFract="0.27996265"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1467"
                           xFract="0.25434834"
                           y3="8.43276"
                           yFract="0.99914218"
                           z3="6.31222"
                           zFract="0.28407831"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00171"
                           xFract="-0.00020261"
                           y3="-0.01282"
                           yFract="-0.00151896"
                           z3="4.25869"
                           zFract="0.19166022"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39317"
                           xFract="0.99445142"
                           y3="0.14656"
                           yFract="0.01736493"
                           z3="8.41409"
                           zFract="0.37867192"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1080"
                           xFract="0.24976303"
                           y3="2.11077"
                           yFract="0.25009123"
                           z3="4.27322"
                           zFract="0.19231413"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.95703"
                           xFract="0.23187559"
                           y3="2.04231"
                           yFract="0.24197986"
                           z3="8.53645"
                           zFract="0.38417867"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3963"
                           xFract="0.52088863"
                           y3="2.10917"
                           yFract="0.24990166"
                           z3="6.27069"
                           zFract="0.28220927"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33424"
                           xFract="0.75050237"
                           y3="8.36033"
                           yFract="0.99056043"
                           z3="6.31929"
                           zFract="0.28439649"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21052"
                           xFract="0.49887678"
                           y3="8.31281"
                           yFract="0.98493009"
                           z3="4.20982"
                           zFract="0.18946085"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30734"
                           xFract="0.51034834"
                           y3="0.00558"
                           yFract="0.00066114"
                           z3="8.47052"
                           zFract="0.38121152"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30742"
                           xFract="0.74732464"
                           y3="2.07192"
                           yFract="0.24548815"
                           z3="4.04801"
                           zFract="0.18217867"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65089"
                           xFract="0.78802014"
                           y3="2.1849"
                           yFract="0.25887441"
                           z3="8.96205"
                           zFract="0.40333258"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41224"
                           xFract="0.9967109"
                           y3="6.46121"
                           yFract="0.76554621"
                           z3="6.4121"
                           zFract="0.28857336"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94957"
                           xFract="0.23099171"
                           y3="4.2389"
                           yFract="0.50223934"
                           z3="6.43702"
                           zFract="0.28969487"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02104"
                           xFract="0.00249289"
                           y3="4.2058"
                           yFract="0.49831754"
                           z3="4.11916"
                           zFract="0.18538074"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.27283"
                           xFract="0.03232583"
                           y3="4.00363"
                           yFract="0.47436374"
                           z3="9.3287"
                           zFract="0.41983348"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20593"
                           xFract="0.26136611"
                           y3="6.32295"
                           yFract="0.74916469"
                           z3="4.29195"
                           zFract="0.19315707"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04338"
                           xFract="0.24210664"
                           y3="6.37205"
                           yFract="0.75498223"
                           z3="8.48803"
                           zFract="0.38199955"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22514"
                           xFract="0.500609"
                           y3="6.34081"
                           yFract="0.75128081"
                           z3="6.3000"
                           zFract="0.28352835"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43217"
                           xFract="0.76210545"
                           y3="4.3075"
                           yFract="0.5103673"
                           z3="6.33525"
                           zFract="0.28511476"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18793"
                           xFract="0.49620024"
                           y3="4.3704"
                           yFract="0.51781991"
                           z3="4.29231"
                           zFract="0.19317327"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14601"
                           xFract="0.49123341"
                           y3="4.22143"
                           yFract="0.50016943"
                           z3="8.51419"
                           zFract="0.38317687"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18596"
                           xFract="0.73293365"
                           y3="6.36012"
                           yFract="0.75356872"
                           z3="4.23336"
                           zFract="0.19052025"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42813"
                           xFract="0.76162678"
                           y3="6.22956"
                           yFract="0.73809953"
                           z3="8.48019"
                           zFract="0.38164671"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.89">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08747"
                           xFract="0.01036374"
                           y3="4.11264"
                           yFract="0.48727962"
                           z3="10.2728"
                           zFract="0.46232223"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02092"
                           xFract="-0.00247867"
                           y3="6.41694"
                           yFract="0.76030095"
                           z3="8.49721"
                           zFract="0.38241269"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3369"
                           xFract="0.75081754"
                           y3="0.00928"
                           yFract="0.00109953"
                           z3="4.24868"
                           zFract="0.19120972"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07164"
                           xFract="0.00848815"
                           y3="2.06301"
                           yFract="0.24443246"
                           z3="8.86212"
                           zFract="0.39883528"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34888"
                           xFract="0.75223697"
                           y3="6.3330"
                           yFract="0.75035545"
                           z3="6.3841"
                           zFract="0.28731323"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20626"
                           xFract="0.49837204"
                           y3="6.33138"
                           yFract="0.75016351"
                           z3="4.23452"
                           zFract="0.19057246"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42135"
                           xFract="0.99779028"
                           y3="0.06053"
                           yFract="0.0071718"
                           z3="6.36876"
                           zFract="0.28662286"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41504"
                           xFract="0.99704265"
                           y3="2.10378"
                           yFract="0.24926303"
                           z3="4.19617"
                           zFract="0.18884653"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12672"
                           xFract="0.25198104"
                           y3="4.18019"
                           yFract="0.49528318"
                           z3="8.49625"
                           zFract="0.38236949"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09026"
                           xFract="0.24766114"
                           y3="4.20731"
                           yFract="0.49849645"
                           z3="4.2598"
                           zFract="0.19171017"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06658"
                           xFract="0.24485545"
                           y3="6.3404"
                           yFract="0.75123223"
                           z3="6.37999"
                           zFract="0.28712826"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09291"
                           xFract="0.24797512"
                           y3="0.00486"
                           yFract="0.00057583"
                           z3="4.22375"
                           zFract="0.19008776"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2504"
                           xFract="0.5036019"
                           y3="0.03915"
                           yFract="0.00463863"
                           z3="6.32202"
                           zFract="0.28451935"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35289"
                           xFract="0.75271209"
                           y3="2.12373"
                           yFract="0.25162678"
                           z3="6.40235"
                           zFract="0.28813456"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.34651"
                           xFract="0.75195616"
                           y3="4.12741"
                           yFract="0.48902962"
                           z3="8.63769"
                           zFract="0.38873492"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27858"
                           xFract="0.50694076"
                           y3="2.13821"
                           yFract="0.25334242"
                           z3="8.57713"
                           zFract="0.38600945"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42115"
                           xFract="0.99776659"
                           y3="6.31296"
                           yFract="0.74798104"
                           z3="4.2649"
                           zFract="0.19193969"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3990"
                           xFract="0.99514218"
                           y3="4.19214"
                           yFract="0.49669905"
                           z3="6.3953"
                           zFract="0.28781728"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21634"
                           xFract="0.49956635"
                           y3="2.1108"
                           yFract="0.25009479"
                           z3="4.21052"
                           zFract="0.18949235"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03568"
                           xFract="0.24119431"
                           y3="2.09532"
                           yFract="0.24826066"
                           z3="6.40992"
                           zFract="0.28847525"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35526"
                           xFract="0.75299289"
                           y3="4.20656"
                           yFract="0.49840758"
                           z3="4.25776"
                           zFract="0.19161836"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.29542"
                           xFract="0.50893602"
                           y3="6.31891"
                           yFract="0.74868602"
                           z3="8.48363"
                           zFract="0.38180153"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26143"
                           xFract="0.50490877"
                           y3="4.17365"
                           yFract="0.49450829"
                           z3="6.41643"
                           zFract="0.28876823"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15177"
                           xFract="0.25494905"
                           y3="0.00358"
                           yFract="0.00042417"
                           z3="8.44997"
                           zFract="0.38028668"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33549"
                           xFract="0.75065047"
                           y3="0.15022"
                           yFract="0.01779858"
                           z3="8.50379"
                           zFract="0.38270882"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27746"
                           xFract="0.98074171"
                           y3="2.05023"
                           yFract="0.24291825"
                           z3="6.2207"
                           zFract="0.2799595"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14661"
                           xFract="0.25433768"
                           y3="8.43287"
                           yFract="0.99915521"
                           z3="6.31202"
                           zFract="0.28406931"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00171"
                           xFract="-0.00020261"
                           y3="-0.01252"
                           yFract="-0.00148341"
                           z3="4.25856"
                           zFract="0.19165437"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39283"
                           xFract="0.99441114"
                           y3="0.14622"
                           yFract="0.01732464"
                           z3="8.41412"
                           zFract="0.37867327"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10812"
                           xFract="0.24977725"
                           y3="2.11073"
                           yFract="0.25008649"
                           z3="4.27358"
                           zFract="0.19233033"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.95775"
                           xFract="0.2319609"
                           y3="2.04196"
                           yFract="0.24193839"
                           z3="8.53662"
                           zFract="0.38418632"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39638"
                           xFract="0.5208981"
                           y3="2.10915"
                           yFract="0.24989929"
                           z3="6.27096"
                           zFract="0.28222142"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33411"
                           xFract="0.75048697"
                           y3="8.36042"
                           yFract="0.99057109"
                           z3="6.31945"
                           zFract="0.28440369"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21039"
                           xFract="0.49886137"
                           y3="8.31297"
                           yFract="0.98494905"
                           z3="4.20976"
                           zFract="0.18945815"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30766"
                           xFract="0.51038626"
                           y3="0.00557"
                           yFract="0.00065995"
                           z3="8.47049"
                           zFract="0.38121017"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30743"
                           xFract="0.74732583"
                           y3="2.07194"
                           yFract="0.24549052"
                           z3="4.04798"
                           zFract="0.18217732"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65135"
                           xFract="0.78807464"
                           y3="2.18517"
                           yFract="0.2589064"
                           z3="8.96338"
                           zFract="0.40339244"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41223"
                           xFract="0.99670972"
                           y3="6.46111"
                           yFract="0.76553436"
                           z3="6.41184"
                           zFract="0.28856166"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94935"
                           xFract="0.23096564"
                           y3="4.23891"
                           yFract="0.50224052"
                           z3="6.43729"
                           zFract="0.28970702"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02106"
                           xFract="0.00249526"
                           y3="4.20559"
                           yFract="0.49829265"
                           z3="4.11918"
                           zFract="0.18538164"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.27391"
                           xFract="0.03245379"
                           y3="4.00302"
                           yFract="0.47429147"
                           z3="9.32932"
                           zFract="0.41986139"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20557"
                           xFract="0.26132346"
                           y3="6.32316"
                           yFract="0.74918957"
                           z3="4.29195"
                           zFract="0.19315707"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0434"
                           xFract="0.242109"
                           y3="6.37235"
                           yFract="0.75501777"
                           z3="8.48809"
                           zFract="0.38200225"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22497"
                           xFract="0.50058886"
                           y3="6.34085"
                           yFract="0.75128555"
                           z3="6.29969"
                           zFract="0.2835144"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43215"
                           xFract="0.76210308"
                           y3="4.30737"
                           yFract="0.5103519"
                           z3="6.33523"
                           zFract="0.28511386"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18786"
                           xFract="0.49619194"
                           y3="4.37053"
                           yFract="0.51783531"
                           z3="4.29227"
                           zFract="0.19317147"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14567"
                           xFract="0.49119313"
                           y3="4.22151"
                           yFract="0.50017891"
                           z3="8.51431"
                           zFract="0.38318227"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18593"
                           xFract="0.73293009"
                           y3="6.36022"
                           yFract="0.75358057"
                           z3="4.23342"
                           zFract="0.19052295"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42835"
                           xFract="0.76165284"
                           y3="6.22897"
                           yFract="0.73802962"
                           z3="8.47997"
                           zFract="0.38163681"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.90">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08773"
                           xFract="0.01039455"
                           y3="4.10956"
                           yFract="0.48691469"
                           z3="10.27791"
                           zFract="0.46255221"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02083"
                           xFract="-0.00246801"
                           y3="6.41865"
                           yFract="0.76050355"
                           z3="8.4980"
                           zFract="0.38244824"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33674"
                           xFract="0.75079858"
                           y3="0.0092"
                           yFract="0.00109005"
                           z3="4.24883"
                           zFract="0.19121647"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07301"
                           xFract="0.00865047"
                           y3="2.06328"
                           yFract="0.24446445"
                           z3="8.86365"
                           zFract="0.39890414"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34911"
                           xFract="0.75226422"
                           y3="6.33322"
                           yFract="0.75038152"
                           z3="6.38461"
                           zFract="0.28733618"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2071"
                           xFract="0.49847156"
                           y3="6.32935"
                           yFract="0.74992299"
                           z3="4.23426"
                           zFract="0.19056076"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42134"
                           xFract="0.9977891"
                           y3="0.06137"
                           yFract="0.00727133"
                           z3="6.36943"
                           zFract="0.28665302"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41515"
                           xFract="0.99705569"
                           y3="2.1038"
                           yFract="0.2492654"
                           z3="4.1984"
                           zFract="0.18894689"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12652"
                           xFract="0.25195735"
                           y3="4.18082"
                           yFract="0.49535782"
                           z3="8.49739"
                           zFract="0.38242079"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09063"
                           xFract="0.24770498"
                           y3="4.20741"
                           yFract="0.49850829"
                           z3="4.2602"
                           zFract="0.19172817"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06708"
                           xFract="0.24491469"
                           y3="6.34049"
                           yFract="0.75124289"
                           z3="6.38085"
                           zFract="0.28716697"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09265"
                           xFract="0.24794431"
                           y3="0.00524"
                           yFract="0.00062085"
                           z3="4.22446"
                           zFract="0.19011971"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25036"
                           xFract="0.50359716"
                           y3="0.03941"
                           yFract="0.00466943"
                           z3="6.32252"
                           zFract="0.28454185"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35206"
                           xFract="0.75261374"
                           y3="2.12394"
                           yFract="0.25165166"
                           z3="6.40192"
                           zFract="0.28811521"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.34902"
                           xFract="0.75225355"
                           y3="4.1270"
                           yFract="0.48898104"
                           z3="8.63742"
                           zFract="0.38872277"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27841"
                           xFract="0.50692062"
                           y3="2.13871"
                           yFract="0.25340166"
                           z3="8.57701"
                           zFract="0.38600405"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42092"
                           xFract="0.99773934"
                           y3="6.3130"
                           yFract="0.74798578"
                           z3="4.26474"
                           zFract="0.19193249"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39872"
                           xFract="0.995109"
                           y3="4.19275"
                           yFract="0.49677133"
                           z3="6.39606"
                           zFract="0.28785149"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21662"
                           xFract="0.49959953"
                           y3="2.11133"
                           yFract="0.25015758"
                           z3="4.21084"
                           zFract="0.18950675"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03627"
                           xFract="0.24126422"
                           y3="2.09522"
                           yFract="0.24824882"
                           z3="6.41031"
                           zFract="0.2884928"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35492"
                           xFract="0.75295261"
                           y3="4.20697"
                           yFract="0.49845616"
                           z3="4.25797"
                           zFract="0.19162781"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.29727"
                           xFract="0.50915521"
                           y3="6.31821"
                           yFract="0.74860308"
                           z3="8.48409"
                           zFract="0.38182223"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26199"
                           xFract="0.50497512"
                           y3="4.17423"
                           yFract="0.49457701"
                           z3="6.41719"
                           zFract="0.28880243"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15253"
                           xFract="0.2550391"
                           y3="0.00274"
                           yFract="0.00032464"
                           z3="8.4511"
                           zFract="0.38033753"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33502"
                           xFract="0.75059479"
                           y3="0.15363"
                           yFract="0.01820261"
                           z3="8.50396"
                           zFract="0.38271647"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27749"
                           xFract="0.98074526"
                           y3="2.04983"
                           yFract="0.24287085"
                           z3="6.22049"
                           zFract="0.27995005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14633"
                           xFract="0.2543045"
                           y3="8.4332"
                           yFract="0.99919431"
                           z3="6.31143"
                           zFract="0.28404275"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00172"
                           xFract="-0.00020379"
                           y3="-0.01162"
                           yFract="-0.00137678"
                           z3="4.25818"
                           zFract="0.19163726"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39182"
                           xFract="0.99429147"
                           y3="0.1452"
                           yFract="0.01720379"
                           z3="8.41418"
                           zFract="0.37867597"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10849"
                           xFract="0.24982109"
                           y3="2.11062"
                           yFract="0.25007346"
                           z3="4.27466"
                           zFract="0.19237894"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.95991"
                           xFract="0.23221682"
                           y3="2.04091"
                           yFract="0.24181398"
                           z3="8.53714"
                           zFract="0.38420972"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3966"
                           xFract="0.52092417"
                           y3="2.10911"
                           yFract="0.24989455"
                           z3="6.27177"
                           zFract="0.28225788"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33372"
                           xFract="0.75044076"
                           y3="8.36069"
                           yFract="0.99060308"
                           z3="6.31994"
                           zFract="0.28442574"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21002"
                           xFract="0.49881754"
                           y3="8.31346"
                           yFract="0.98500711"
                           z3="4.20957"
                           zFract="0.18944959"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30861"
                           xFract="0.51049882"
                           y3="0.00556"
                           yFract="0.00065877"
                           z3="8.47041"
                           zFract="0.38120657"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30745"
                           xFract="0.7473282"
                           y3="2.07198"
                           yFract="0.24549526"
                           z3="4.04788"
                           zFract="0.18217282"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65273"
                           xFract="0.78823815"
                           y3="2.18599"
                           yFract="0.25900355"
                           z3="8.96737"
                           zFract="0.40357201"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41217"
                           xFract="0.99670261"
                           y3="6.46083"
                           yFract="0.76550118"
                           z3="6.41107"
                           zFract="0.288527"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9487"
                           xFract="0.23088863"
                           y3="4.23895"
                           yFract="0.50224526"
                           z3="6.43809"
                           zFract="0.28974302"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02112"
                           xFract="0.00250237"
                           y3="4.20497"
                           yFract="0.49821919"
                           z3="4.11923"
                           zFract="0.18538389"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.27716"
                           xFract="0.03283886"
                           y3="4.00119"
                           yFract="0.47407464"
                           z3="9.33115"
                           zFract="0.41994374"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20449"
                           xFract="0.2611955"
                           y3="6.32377"
                           yFract="0.74926185"
                           z3="4.29193"
                           zFract="0.19315617"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04346"
                           xFract="0.24211611"
                           y3="6.37326"
                           yFract="0.75512559"
                           z3="8.48825"
                           zFract="0.38200945"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22445"
                           xFract="0.50052725"
                           y3="6.34096"
                           yFract="0.75129858"
                           z3="6.29878"
                           zFract="0.28347345"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43206"
                           xFract="0.76209242"
                           y3="4.30698"
                           yFract="0.51030569"
                           z3="6.33517"
                           zFract="0.28511116"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18765"
                           xFract="0.49616706"
                           y3="4.37091"
                           yFract="0.51788033"
                           z3="4.29214"
                           zFract="0.19316562"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14466"
                           xFract="0.49107346"
                           y3="4.22174"
                           yFract="0.50020616"
                           z3="8.51469"
                           zFract="0.38319937"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18582"
                           xFract="0.73291706"
                           y3="6.36051"
                           yFract="0.75361493"
                           z3="4.23362"
                           zFract="0.19053195"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42901"
                           xFract="0.76173104"
                           y3="6.22718"
                           yFract="0.73781754"
                           z3="8.47933"
                           zFract="0.38160801"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.91">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08826"
                           xFract="0.01045735"
                           y3="4.10341"
                           yFract="0.48618602"
                           z3="10.28814"
                           zFract="0.4630126"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02066"
                           xFract="-0.00244787"
                           y3="6.42207"
                           yFract="0.76090877"
                           z3="8.49957"
                           zFract="0.3825189"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33643"
                           xFract="0.75076185"
                           y3="0.00903"
                           yFract="0.00106991"
                           z3="4.24912"
                           zFract="0.19122952"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07573"
                           xFract="0.00897275"
                           y3="2.0638"
                           yFract="0.24452607"
                           z3="8.8667"
                           zFract="0.3990414"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34959"
                           xFract="0.75232109"
                           y3="6.33367"
                           yFract="0.75043483"
                           z3="6.38565"
                           zFract="0.28738299"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20879"
                           xFract="0.4986718"
                           y3="6.32527"
                           yFract="0.74943957"
                           z3="4.23375"
                           zFract="0.1905378"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42133"
                           xFract="0.99778791"
                           y3="0.06305"
                           yFract="0.00747038"
                           z3="6.37078"
                           zFract="0.28671377"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41537"
                           xFract="0.99708175"
                           y3="2.10383"
                           yFract="0.24926896"
                           z3="4.20285"
                           zFract="0.18914716"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12612"
                           xFract="0.25190995"
                           y3="4.18209"
                           yFract="0.49550829"
                           z3="8.49965"
                           zFract="0.3825225"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09138"
                           xFract="0.24779384"
                           y3="4.2076"
                           yFract="0.49853081"
                           z3="4.26101"
                           zFract="0.19176463"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06807"
                           xFract="0.24503199"
                           y3="6.34067"
                           yFract="0.75126422"
                           z3="6.38256"
                           zFract="0.28724392"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09213"
                           xFract="0.2478827"
                           y3="0.00599"
                           yFract="0.00070972"
                           z3="4.22587"
                           zFract="0.19018317"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2503"
                           xFract="0.50359005"
                           y3="0.03993"
                           yFract="0.00473104"
                           z3="6.32354"
                           zFract="0.28458776"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35039"
                           xFract="0.75241588"
                           y3="2.12437"
                           yFract="0.25170261"
                           z3="6.40106"
                           zFract="0.28807651"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.35404"
                           xFract="0.75284834"
                           y3="4.12617"
                           yFract="0.4888827"
                           z3="8.63688"
                           zFract="0.38869847"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27807"
                           xFract="0.50688033"
                           y3="2.13971"
                           yFract="0.25352014"
                           z3="8.57676"
                           zFract="0.3859928"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42044"
                           xFract="0.99768246"
                           y3="6.31308"
                           yFract="0.74799526"
                           z3="4.26442"
                           zFract="0.19191809"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39816"
                           xFract="0.99504265"
                           y3="4.19397"
                           yFract="0.49691588"
                           z3="6.39759"
                           zFract="0.28792034"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2172"
                           xFract="0.49966825"
                           y3="2.11239"
                           yFract="0.25028318"
                           z3="4.21146"
                           zFract="0.18953465"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03745"
                           xFract="0.24140403"
                           y3="2.09502"
                           yFract="0.24822512"
                           z3="6.4111"
                           zFract="0.28852835"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35425"
                           xFract="0.75287322"
                           y3="4.20779"
                           yFract="0.49855332"
                           z3="4.25839"
                           zFract="0.19164671"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.30098"
                           xFract="0.50959479"
                           y3="6.3168"
                           yFract="0.74843602"
                           z3="8.4850"
                           zFract="0.38186319"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26312"
                           xFract="0.505109"
                           y3="4.17537"
                           yFract="0.49471209"
                           z3="6.41871"
                           zFract="0.28887084"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15405"
                           xFract="0.25521919"
                           y3="0.00104"
                           yFract="0.00012322"
                           z3="8.45337"
                           zFract="0.38043969"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33408"
                           xFract="0.75048341"
                           y3="0.16046"
                           yFract="0.01901185"
                           z3="8.50432"
                           zFract="0.38273267"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27754"
                           xFract="0.98075118"
                           y3="2.04904"
                           yFract="0.24277725"
                           z3="6.22009"
                           zFract="0.27993204"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14577"
                           xFract="0.25423815"
                           y3="8.43386"
                           yFract="0.99927251"
                           z3="6.31024"
                           zFract="0.2839892"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00173"
                           xFract="-0.00020498"
                           y3="-0.00981"
                           yFract="-0.00116232"
                           z3="4.25741"
                           zFract="0.19160261"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38979"
                           xFract="0.99405095"
                           y3="0.14316"
                           yFract="0.01696209"
                           z3="8.41431"
                           zFract="0.37868182"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10924"
                           xFract="0.24990995"
                           y3="2.1104"
                           yFract="0.25004739"
                           z3="4.27681"
                           zFract="0.1924757"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96422"
                           xFract="0.23272749"
                           y3="2.03881"
                           yFract="0.24156517"
                           z3="8.53818"
                           zFract="0.38425653"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39704"
                           xFract="0.5209763"
                           y3="2.10902"
                           yFract="0.24988389"
                           z3="6.27339"
                           zFract="0.28233078"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33292"
                           xFract="0.75034597"
                           y3="8.36124"
                           yFract="0.99066825"
                           z3="6.32093"
                           zFract="0.2844703"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20926"
                           xFract="0.49872749"
                           y3="8.31445"
                           yFract="0.98512441"
                           z3="4.20918"
                           zFract="0.18943204"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31053"
                           xFract="0.5107263"
                           y3="0.00552"
                           yFract="0.00065403"
                           z3="8.47023"
                           zFract="0.38119847"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3075"
                           xFract="0.74733412"
                           y3="2.07207"
                           yFract="0.24550592"
                           z3="4.04769"
                           zFract="0.18216427"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6555"
                           xFract="0.78856635"
                           y3="2.18762"
                           yFract="0.25919668"
                           z3="8.97534"
                           zFract="0.40393069"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41206"
                           xFract="0.99668957"
                           y3="6.46027"
                           yFract="0.76543483"
                           z3="6.40953"
                           zFract="0.2884577"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94739"
                           xFract="0.23073341"
                           y3="4.23903"
                           yFract="0.50225474"
                           z3="6.43969"
                           zFract="0.28981503"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02124"
                           xFract="0.00251659"
                           y3="4.20373"
                           yFract="0.49807227"
                           z3="4.11933"
                           zFract="0.18538839"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.28365"
                           xFract="0.03360782"
                           y3="3.99752"
                           yFract="0.47363981"
                           z3="9.33481"
                           zFract="0.42010846"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20234"
                           xFract="0.26094076"
                           y3="6.32498"
                           yFract="0.74940521"
                           z3="4.29191"
                           zFract="0.19315527"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04359"
                           xFract="0.24213152"
                           y3="6.37507"
                           yFract="0.75534005"
                           z3="8.48857"
                           zFract="0.38202385"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22343"
                           xFract="0.5004064"
                           y3="6.34119"
                           yFract="0.75132583"
                           z3="6.29695"
                           zFract="0.28339109"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43189"
                           xFract="0.76207227"
                           y3="4.30621"
                           yFract="0.51021445"
                           z3="6.33506"
                           zFract="0.28510621"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18723"
                           xFract="0.4961173"
                           y3="4.37167"
                           yFract="0.51797038"
                           z3="4.2919"
                           zFract="0.19315482"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14264"
                           xFract="0.49083412"
                           y3="4.22221"
                           yFract="0.50026185"
                           z3="8.51544"
                           zFract="0.38323312"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1856"
                           xFract="0.732891"
                           y3="6.36109"
                           yFract="0.75368365"
                           z3="4.23402"
                           zFract="0.19054995"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43032"
                           xFract="0.76188626"
                           y3="6.2236"
                           yFract="0.73739336"
                           z3="8.47804"
                           zFract="0.38154995"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.92">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08797"
                           xFract="0.01042299"
                           y3="4.10677"
                           yFract="0.48658412"
                           z3="10.28254"
                           zFract="0.46276058"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02075"
                           xFract="-0.00245853"
                           y3="6.4202"
                           yFract="0.7606872"
                           z3="8.49871"
                           zFract="0.3824802"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3366"
                           xFract="0.75078199"
                           y3="0.00912"
                           yFract="0.00108057"
                           z3="4.24896"
                           zFract="0.19122232"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07424"
                           xFract="0.00879621"
                           y3="2.06351"
                           yFract="0.24449171"
                           z3="8.86503"
                           zFract="0.39896625"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34933"
                           xFract="0.75229028"
                           y3="6.33342"
                           yFract="0.75040521"
                           z3="6.38508"
                           zFract="0.28735734"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20787"
                           xFract="0.4985628"
                           y3="6.3275"
                           yFract="0.74970379"
                           z3="4.23403"
                           zFract="0.19055041"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42134"
                           xFract="0.9977891"
                           y3="0.06213"
                           yFract="0.00736137"
                           z3="6.37004"
                           zFract="0.28668047"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41525"
                           xFract="0.99706754"
                           y3="2.10381"
                           yFract="0.24926659"
                           z3="4.20042"
                           zFract="0.1890378"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12634"
                           xFract="0.25193602"
                           y3="4.1814"
                           yFract="0.49542654"
                           z3="8.49841"
                           zFract="0.3824667"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09097"
                           xFract="0.24774526"
                           y3="4.2075"
                           yFract="0.49851896"
                           z3="4.26057"
                           zFract="0.19174482"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06753"
                           xFract="0.24496801"
                           y3="6.34057"
                           yFract="0.75125237"
                           z3="6.38162"
                           zFract="0.28720162"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09241"
                           xFract="0.24791588"
                           y3="0.00558"
                           yFract="0.00066114"
                           z3="4.2251"
                           zFract="0.19014851"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25034"
                           xFract="0.50359479"
                           y3="0.03965"
                           yFract="0.00469787"
                           z3="6.32298"
                           zFract="0.28456256"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35131"
                           xFract="0.75252488"
                           y3="2.12414"
                           yFract="0.25167536"
                           z3="6.40153"
                           zFract="0.28809766"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.35129"
                           xFract="0.75252251"
                           y3="4.12663"
                           yFract="0.4889372"
                           z3="8.63718"
                           zFract="0.38871197"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27826"
                           xFract="0.50690284"
                           y3="2.13916"
                           yFract="0.25345498"
                           z3="8.57689"
                           zFract="0.38599865"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4207"
                           xFract="0.99771327"
                           y3="6.31304"
                           yFract="0.74799052"
                           z3="4.2646"
                           zFract="0.19192619"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39846"
                           xFract="0.9950782"
                           y3="4.1933"
                           yFract="0.49683649"
                           z3="6.39676"
                           zFract="0.28788299"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21689"
                           xFract="0.49963152"
                           y3="2.11181"
                           yFract="0.25021445"
                           z3="4.21112"
                           zFract="0.18951935"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0368"
                           xFract="0.24132701"
                           y3="2.09513"
                           yFract="0.24823815"
                           z3="6.41067"
                           zFract="0.288509"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35462"
                           xFract="0.75291706"
                           y3="4.20734"
                           yFract="0.4985"
                           z3="4.25816"
                           zFract="0.19163636"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.29895"
                           xFract="0.50935427"
                           y3="6.31757"
                           yFract="0.74852725"
                           z3="8.4845"
                           zFract="0.38184068"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2625"
                           xFract="0.50503555"
                           y3="4.17474"
                           yFract="0.49463744"
                           z3="6.41788"
                           zFract="0.28883348"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15321"
                           xFract="0.25511967"
                           y3="0.00197"
                           yFract="0.00023341"
                           z3="8.45213"
                           zFract="0.38038389"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3346"
                           xFract="0.75054502"
                           y3="0.15673"
                           yFract="0.01856991"
                           z3="8.50413"
                           zFract="0.38272412"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27751"
                           xFract="0.98074763"
                           y3="2.04947"
                           yFract="0.2428282"
                           z3="6.22031"
                           zFract="0.27994194"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14607"
                           xFract="0.2542737"
                           y3="8.4335"
                           yFract="0.99922986"
                           z3="6.31089"
                           zFract="0.28401845"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00172"
                           xFract="-0.00020379"
                           y3="-0.0108"
                           yFract="-0.00127962"
                           z3="4.25783"
                           zFract="0.19162151"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3909"
                           xFract="0.99418246"
                           y3="0.14428"
                           yFract="0.01709479"
                           z3="8.41424"
                           zFract="0.37867867"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10883"
                           xFract="0.24986137"
                           y3="2.11052"
                           yFract="0.25006161"
                           z3="4.27563"
                           zFract="0.19242259"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96186"
                           xFract="0.23244787"
                           y3="2.03996"
                           yFract="0.24170142"
                           z3="8.53761"
                           zFract="0.38423087"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3968"
                           xFract="0.52094787"
                           y3="2.10907"
                           yFract="0.24988981"
                           z3="6.2725"
                           zFract="0.28229073"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="8.36094"
                           yFract="0.9906327"
                           z3="6.32039"
                           zFract="0.28444599"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20967"
                           xFract="0.49877607"
                           y3="8.31391"
                           yFract="0.98506043"
                           z3="4.20939"
                           zFract="0.18944149"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30948"
                           xFract="0.5106019"
                           y3="0.00554"
                           yFract="0.0006564"
                           z3="8.47033"
                           zFract="0.38120297"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30748"
                           xFract="0.74733175"
                           y3="2.07203"
                           yFract="0.24550118"
                           z3="4.0478"
                           zFract="0.18216922"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65398"
                           xFract="0.78838626"
                           y3="2.18673"
                           yFract="0.25909123"
                           z3="8.97098"
                           zFract="0.40373447"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41212"
                           xFract="0.99669668"
                           y3="6.46058"
                           yFract="0.76547156"
                           z3="6.41037"
                           zFract="0.2884955"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9481"
                           xFract="0.23081754"
                           y3="4.23899"
                           yFract="0.50225"
                           z3="6.43881"
                           zFract="0.28977543"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02117"
                           xFract="0.00250829"
                           y3="4.20441"
                           yFract="0.49815284"
                           z3="4.11928"
                           zFract="0.18538614"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.2801"
                           xFract="0.0331872"
                           y3="3.99953"
                           yFract="0.47387796"
                           z3="9.33281"
                           zFract="0.42001845"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20352"
                           xFract="0.26108057"
                           y3="6.32432"
                           yFract="0.74932701"
                           z3="4.29192"
                           zFract="0.19315572"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04352"
                           xFract="0.24212322"
                           y3="6.37408"
                           yFract="0.75522275"
                           z3="8.4884"
                           zFract="0.3820162"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22399"
                           xFract="0.50047275"
                           y3="6.34106"
                           yFract="0.75131043"
                           z3="6.29795"
                           zFract="0.28343609"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43199"
                           xFract="0.76208412"
                           y3="4.30664"
                           yFract="0.5102654"
                           z3="6.33512"
                           zFract="0.28510891"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18746"
                           xFract="0.49614455"
                           y3="4.37125"
                           yFract="0.51792062"
                           z3="4.29203"
                           zFract="0.19316067"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14374"
                           xFract="0.49096445"
                           y3="4.22195"
                           yFract="0.50023104"
                           z3="8.51503"
                           zFract="0.38321467"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18572"
                           xFract="0.73290521"
                           y3="6.36077"
                           yFract="0.75364573"
                           z3="4.2338"
                           zFract="0.19054005"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42961"
                           xFract="0.76180213"
                           y3="6.22556"
                           yFract="0.73762559"
                           z3="8.47875"
                           zFract="0.38158191"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.93">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08792"
                           xFract="0.01041706"
                           y3="4.10736"
                           yFract="0.48665403"
                           z3="10.28158"
                           zFract="0.46271737"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02077"
                           xFract="-0.0024609"
                           y3="6.41988"
                           yFract="0.76064929"
                           z3="8.49856"
                           zFract="0.38247345"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33663"
                           xFract="0.75078555"
                           y3="0.00914"
                           yFract="0.00108294"
                           z3="4.24893"
                           zFract="0.19122097"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07398"
                           xFract="0.0087654"
                           y3="2.06346"
                           yFract="0.24448578"
                           z3="8.86474"
                           zFract="0.3989532"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34928"
                           xFract="0.75228436"
                           y3="6.33338"
                           yFract="0.75040047"
                           z3="6.38498"
                           zFract="0.28735284"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20771"
                           xFract="0.49854384"
                           y3="6.32789"
                           yFract="0.74975"
                           z3="4.23408"
                           zFract="0.19055266"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42134"
                           xFract="0.9977891"
                           y3="0.06197"
                           yFract="0.00734242"
                           z3="6.36992"
                           zFract="0.28667507"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41523"
                           xFract="0.99706517"
                           y3="2.10381"
                           yFract="0.24926659"
                           z3="4.2000"
                           zFract="0.1890189"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12638"
                           xFract="0.25194076"
                           y3="4.18128"
                           yFract="0.49541232"
                           z3="8.4982"
                           zFract="0.38245725"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0909"
                           xFract="0.24773697"
                           y3="4.20748"
                           yFract="0.49851659"
                           z3="4.26049"
                           zFract="0.19174122"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06743"
                           xFract="0.24495616"
                           y3="6.34056"
                           yFract="0.75125118"
                           z3="6.38146"
                           zFract="0.28719442"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09246"
                           xFract="0.2479218"
                           y3="0.00551"
                           yFract="0.00065284"
                           z3="4.22496"
                           zFract="0.19014221"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25034"
                           xFract="0.50359479"
                           y3="0.0396"
                           yFract="0.00469194"
                           z3="6.32289"
                           zFract="0.28455851"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35146"
                           xFract="0.75254265"
                           y3="2.1241"
                           yFract="0.25167062"
                           z3="6.40161"
                           zFract="0.28810126"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.35082"
                           xFract="0.75246682"
                           y3="4.1267"
                           yFract="0.4889455"
                           z3="8.63723"
                           zFract="0.38871422"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27829"
                           xFract="0.5069064"
                           y3="2.13907"
                           yFract="0.25344431"
                           z3="8.57692"
                           zFract="0.3860"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42075"
                           xFract="0.99771919"
                           y3="6.31303"
                           yFract="0.74798934"
                           z3="4.26463"
                           zFract="0.19192754"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39852"
                           xFract="0.99508531"
                           y3="4.19319"
                           yFract="0.49682346"
                           z3="6.39661"
                           zFract="0.28787624"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21683"
                           xFract="0.49962441"
                           y3="2.11171"
                           yFract="0.25020261"
                           z3="4.21106"
                           zFract="0.18951665"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03669"
                           xFract="0.24131398"
                           y3="2.09515"
                           yFract="0.24824052"
                           z3="6.41059"
                           zFract="0.2885054"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35468"
                           xFract="0.75292417"
                           y3="4.20727"
                           yFract="0.49849171"
                           z3="4.25812"
                           zFract="0.19163456"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2986"
                           xFract="0.5093128"
                           y3="6.3177"
                           yFract="0.74854265"
                           z3="8.48442"
                           zFract="0.38183708"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2624"
                           xFract="0.5050237"
                           y3="4.17464"
                           yFract="0.49462559"
                           z3="6.41773"
                           zFract="0.28882673"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15307"
                           xFract="0.25510308"
                           y3="0.00213"
                           yFract="0.00025237"
                           z3="8.45191"
                           zFract="0.38037399"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33468"
                           xFract="0.7505545"
                           y3="0.15608"
                           yFract="0.01849289"
                           z3="8.50409"
                           zFract="0.38272232"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27751"
                           xFract="0.98074763"
                           y3="2.04955"
                           yFract="0.24283768"
                           z3="6.22035"
                           zFract="0.27994374"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14613"
                           xFract="0.25428081"
                           y3="8.43344"
                           yFract="0.99922275"
                           z3="6.3110"
                           zFract="0.2840234"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00172"
                           xFract="-0.00020379"
                           y3="-0.01097"
                           yFract="-0.00129976"
                           z3="4.2579"
                           zFract="0.19162466"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39109"
                           xFract="0.99420498"
                           y3="0.14447"
                           yFract="0.0171173"
                           z3="8.41423"
                           zFract="0.37867822"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10876"
                           xFract="0.24985308"
                           y3="2.11054"
                           yFract="0.25006398"
                           z3="4.27543"
                           zFract="0.19241359"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96146"
                           xFract="0.23240047"
                           y3="2.04015"
                           yFract="0.24172393"
                           z3="8.53751"
                           zFract="0.38422637"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39676"
                           xFract="0.52094313"
                           y3="2.10908"
                           yFract="0.249891"
                           z3="6.27235"
                           zFract="0.28228398"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33343"
                           xFract="0.7504064"
                           y3="8.36089"
                           yFract="0.99062678"
                           z3="6.32029"
                           zFract="0.28444149"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20975"
                           xFract="0.49878555"
                           y3="8.31382"
                           yFract="0.98504976"
                           z3="4.20943"
                           zFract="0.18944329"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3093"
                           xFract="0.51058057"
                           y3="0.00554"
                           yFract="0.0006564"
                           z3="8.47034"
                           zFract="0.38120342"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30747"
                           xFract="0.74733057"
                           y3="2.07202"
                           yFract="0.2455"
                           z3="4.04781"
                           zFract="0.18216967"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65372"
                           xFract="0.78835545"
                           y3="2.18657"
                           yFract="0.25907227"
                           z3="8.97022"
                           zFract="0.40370027"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41213"
                           xFract="0.99669787"
                           y3="6.46063"
                           yFract="0.76547749"
                           z3="6.41051"
                           zFract="0.2885018"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94823"
                           xFract="0.23083294"
                           y3="4.23898"
                           yFract="0.50224882"
                           z3="6.43866"
                           zFract="0.28976868"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02116"
                           xFract="0.00250711"
                           y3="4.20453"
                           yFract="0.49816706"
                           z3="4.11927"
                           zFract="0.18538569"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.27949"
                           xFract="0.03311493"
                           y3="3.99987"
                           yFract="0.47391825"
                           z3="9.33246"
                           zFract="0.4200027"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20372"
                           xFract="0.26110427"
                           y3="6.3242"
                           yFract="0.7493128"
                           z3="4.29192"
                           zFract="0.19315572"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04351"
                           xFract="0.24212204"
                           y3="6.37391"
                           yFract="0.75520261"
                           z3="8.48837"
                           zFract="0.38201485"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22408"
                           xFract="0.50048341"
                           y3="6.34104"
                           yFract="0.75130806"
                           z3="6.29813"
                           zFract="0.28344419"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4320"
                           xFract="0.76208531"
                           y3="4.30671"
                           yFract="0.5102737"
                           z3="6.33513"
                           zFract="0.28510936"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1875"
                           xFract="0.49614929"
                           y3="4.37118"
                           yFract="0.51791232"
                           z3="4.29206"
                           zFract="0.19316202"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14394"
                           xFract="0.49098815"
                           y3="4.22191"
                           yFract="0.5002263"
                           z3="8.51496"
                           zFract="0.38321152"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18574"
                           xFract="0.73290758"
                           y3="6.36072"
                           yFract="0.75363981"
                           z3="4.23376"
                           zFract="0.19053825"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42948"
                           xFract="0.76178673"
                           y3="6.2259"
                           yFract="0.73766588"
                           z3="8.47887"
                           zFract="0.38158731"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.94">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08804"
                           xFract="0.01043128"
                           y3="4.10703"
                           yFract="0.48661493"
                           z3="10.28212"
                           zFract="0.46274167"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0209"
                           xFract="-0.0024763"
                           y3="6.42005"
                           yFract="0.76066943"
                           z3="8.49859"
                           zFract="0.3824748"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33653"
                           xFract="0.7507737"
                           y3="0.00914"
                           yFract="0.00108294"
                           z3="4.24895"
                           zFract="0.19122187"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07426"
                           xFract="0.00879858"
                           y3="2.0633"
                           yFract="0.24446682"
                           z3="8.86477"
                           zFract="0.39895455"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3494"
                           xFract="0.75229858"
                           y3="6.33346"
                           yFract="0.75040995"
                           z3="6.38502"
                           zFract="0.28735464"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2072"
                           xFract="0.49848341"
                           y3="6.32899"
                           yFract="0.74988033"
                           z3="4.23402"
                           zFract="0.19054995"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42138"
                           xFract="0.99779384"
                           y3="0.06196"
                           yFract="0.00734123"
                           z3="6.36992"
                           zFract="0.28667507"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41524"
                           xFract="0.99706635"
                           y3="2.10382"
                           yFract="0.24926777"
                           z3="4.20001"
                           zFract="0.18901935"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12653"
                           xFract="0.25195853"
                           y3="4.1814"
                           yFract="0.49542654"
                           z3="8.49827"
                           zFract="0.3824604"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09079"
                           xFract="0.24772393"
                           y3="4.2075"
                           yFract="0.49851896"
                           z3="4.26053"
                           zFract="0.19174302"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06743"
                           xFract="0.24495616"
                           y3="6.34069"
                           yFract="0.75126659"
                           z3="6.38155"
                           zFract="0.28719847"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09253"
                           xFract="0.24793009"
                           y3="0.00548"
                           yFract="0.00064929"
                           z3="4.22496"
                           zFract="0.19014221"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25028"
                           xFract="0.50358768"
                           y3="0.03958"
                           yFract="0.00468957"
                           z3="6.3229"
                           zFract="0.28455896"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3517"
                           xFract="0.75257109"
                           y3="2.12408"
                           yFract="0.25166825"
                           z3="6.40162"
                           zFract="0.28810171"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.35117"
                           xFract="0.75250829"
                           y3="4.12662"
                           yFract="0.48893602"
                           z3="8.63722"
                           zFract="0.38871377"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27822"
                           xFract="0.5068981"
                           y3="2.13912"
                           yFract="0.25345024"
                           z3="8.57693"
                           zFract="0.38600045"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42079"
                           xFract="0.99772393"
                           y3="6.31304"
                           yFract="0.74799052"
                           z3="4.26466"
                           zFract="0.19192889"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39851"
                           xFract="0.99508412"
                           y3="4.19316"
                           yFract="0.49681991"
                           z3="6.39667"
                           zFract="0.28787894"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21685"
                           xFract="0.49962678"
                           y3="2.11173"
                           yFract="0.25020498"
                           z3="4.21116"
                           zFract="0.18952115"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0367"
                           xFract="0.24131517"
                           y3="2.09517"
                           yFract="0.24824289"
                           z3="6.41072"
                           zFract="0.28851125"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35484"
                           xFract="0.75294313"
                           y3="4.20725"
                           yFract="0.49848934"
                           z3="4.25813"
                           zFract="0.19163501"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.29887"
                           xFract="0.50934479"
                           y3="6.31764"
                           yFract="0.74853555"
                           z3="8.48458"
                           zFract="0.38184428"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26244"
                           xFract="0.50502844"
                           y3="4.17464"
                           yFract="0.49462559"
                           z3="6.41792"
                           zFract="0.28883528"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15319"
                           xFract="0.2551173"
                           y3="0.00213"
                           yFract="0.00025237"
                           z3="8.45189"
                           zFract="0.38037309"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33468"
                           xFract="0.7505545"
                           y3="0.15643"
                           yFract="0.01853436"
                           z3="8.50408"
                           zFract="0.38272187"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2774"
                           xFract="0.9807346"
                           y3="2.04953"
                           yFract="0.24283531"
                           z3="6.22042"
                           zFract="0.27994689"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14614"
                           xFract="0.25428199"
                           y3="8.43343"
                           yFract="0.99922156"
                           z3="6.3111"
                           zFract="0.2840279"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00181"
                           xFract="-0.00021445"
                           y3="-0.01083"
                           yFract="-0.00128318"
                           z3="4.25783"
                           zFract="0.19162151"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.39087"
                           xFract="0.99417891"
                           y3="0.14456"
                           yFract="0.01712796"
                           z3="8.41429"
                           zFract="0.37868092"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10882"
                           xFract="0.24986019"
                           y3="2.11065"
                           yFract="0.25007701"
                           z3="4.27555"
                           zFract="0.19241899"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96152"
                           xFract="0.23240758"
                           y3="2.04003"
                           yFract="0.24170972"
                           z3="8.53753"
                           zFract="0.38422727"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39666"
                           xFract="0.52093128"
                           y3="2.10915"
                           yFract="0.24989929"
                           z3="6.27242"
                           zFract="0.28228713"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="8.36086"
                           yFract="0.99062322"
                           z3="6.32028"
                           zFract="0.28444104"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20983"
                           xFract="0.49879502"
                           y3="8.31345"
                           yFract="0.98500592"
                           z3="4.20946"
                           zFract="0.18944464"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30939"
                           xFract="0.51059123"
                           y3="0.00558"
                           yFract="0.00066114"
                           z3="8.4704"
                           zFract="0.38120612"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30739"
                           xFract="0.74732109"
                           y3="2.07208"
                           yFract="0.24550711"
                           z3="4.04783"
                           zFract="0.18217057"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65393"
                           xFract="0.78838033"
                           y3="2.18672"
                           yFract="0.25909005"
                           z3="8.97062"
                           zFract="0.40371827"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41208"
                           xFract="0.99669194"
                           y3="6.46065"
                           yFract="0.76547986"
                           z3="6.4105"
                           zFract="0.28850135"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94827"
                           xFract="0.23083768"
                           y3="4.23906"
                           yFract="0.50225829"
                           z3="6.43868"
                           zFract="0.28976958"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02111"
                           xFract="0.00250118"
                           y3="4.20445"
                           yFract="0.49815758"
                           z3="4.1193"
                           zFract="0.18538704"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.27982"
                           xFract="0.03315403"
                           y3="3.99967"
                           yFract="0.47389455"
                           z3="9.33259"
                           zFract="0.42000855"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20377"
                           xFract="0.26111019"
                           y3="6.32408"
                           yFract="0.74929858"
                           z3="4.29187"
                           zFract="0.19315347"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04355"
                           xFract="0.24212678"
                           y3="6.37392"
                           yFract="0.75520379"
                           z3="8.48842"
                           zFract="0.3820171"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22413"
                           xFract="0.50048934"
                           y3="6.34097"
                           yFract="0.75129976"
                           z3="6.29804"
                           zFract="0.28344014"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43186"
                           xFract="0.76206872"
                           y3="4.30663"
                           yFract="0.51026422"
                           z3="6.33507"
                           zFract="0.28510666"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18762"
                           xFract="0.49616351"
                           y3="4.37087"
                           yFract="0.51787559"
                           z3="4.29215"
                           zFract="0.19316607"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14385"
                           xFract="0.49097749"
                           y3="4.22195"
                           yFract="0.50023104"
                           z3="8.51501"
                           zFract="0.38321377"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18594"
                           xFract="0.73293128"
                           y3="6.36061"
                           yFract="0.75362678"
                           z3="4.23373"
                           zFract="0.1905369"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42952"
                           xFract="0.76179147"
                           y3="6.22551"
                           yFract="0.73761967"
                           z3="8.47873"
                           zFract="0.38158101"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.95">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08841"
                           xFract="0.01047512"
                           y3="4.10607"
                           yFract="0.48650118"
                           z3="10.28374"
                           zFract="0.46281458"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02129"
                           xFract="-0.00252251"
                           y3="6.42055"
                           yFract="0.76072867"
                           z3="8.49868"
                           zFract="0.38247885"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33623"
                           xFract="0.75073815"
                           y3="0.00917"
                           yFract="0.00108649"
                           z3="4.24903"
                           zFract="0.19122547"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07511"
                           xFract="0.00889929"
                           y3="2.06283"
                           yFract="0.24441114"
                           z3="8.86487"
                           zFract="0.39895905"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34977"
                           xFract="0.75234242"
                           y3="6.33368"
                           yFract="0.75043602"
                           z3="6.38513"
                           zFract="0.28735959"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20566"
                           xFract="0.49830095"
                           y3="6.33229"
                           yFract="0.75027133"
                           z3="4.23384"
                           zFract="0.19054185"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42152"
                           xFract="0.99781043"
                           y3="0.06193"
                           yFract="0.00733768"
                           z3="6.36992"
                           zFract="0.28667507"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41526"
                           xFract="0.99706872"
                           y3="2.10386"
                           yFract="0.24927251"
                           z3="4.20007"
                           zFract="0.18902205"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1270"
                           xFract="0.25201422"
                           y3="4.18176"
                           yFract="0.49546919"
                           z3="8.49851"
                           zFract="0.3824712"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09046"
                           xFract="0.24768483"
                           y3="4.20758"
                           yFract="0.49852844"
                           z3="4.26064"
                           zFract="0.19174797"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06742"
                           xFract="0.24495498"
                           y3="6.34108"
                           yFract="0.7513128"
                           z3="6.38183"
                           zFract="0.28721107"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09274"
                           xFract="0.24795498"
                           y3="0.00539"
                           yFract="0.00063863"
                           z3="4.22495"
                           zFract="0.19014176"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2501"
                           xFract="0.50356635"
                           y3="0.03953"
                           yFract="0.00468365"
                           z3="6.32296"
                           zFract="0.28456166"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35241"
                           xFract="0.75265521"
                           y3="2.12403"
                           yFract="0.25166232"
                           z3="6.40162"
                           zFract="0.28810171"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3522"
                           xFract="0.75263033"
                           y3="4.12639"
                           yFract="0.48890877"
                           z3="8.63718"
                           zFract="0.38871197"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27803"
                           xFract="0.50687559"
                           y3="2.1393"
                           yFract="0.25347156"
                           z3="8.57699"
                           zFract="0.38600315"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42091"
                           xFract="0.99773815"
                           y3="6.31306"
                           yFract="0.74799289"
                           z3="4.26475"
                           zFract="0.19193294"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39849"
                           xFract="0.99508175"
                           y3="4.19306"
                           yFract="0.49680806"
                           z3="6.39685"
                           zFract="0.28788704"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21691"
                           xFract="0.49963389"
                           y3="2.1118"
                           yFract="0.25021327"
                           z3="4.21146"
                           zFract="0.18953465"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03674"
                           xFract="0.24131991"
                           y3="2.09524"
                           yFract="0.24825118"
                           z3="6.41109"
                           zFract="0.2885279"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35533"
                           xFract="0.75300118"
                           y3="4.2072"
                           yFract="0.49848341"
                           z3="4.25816"
                           zFract="0.19163636"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.29969"
                           xFract="0.50944194"
                           y3="6.31744"
                           yFract="0.74851185"
                           z3="8.48506"
                           zFract="0.38186589"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26256"
                           xFract="0.50504265"
                           y3="4.17466"
                           yFract="0.49462796"
                           z3="6.4185"
                           zFract="0.28886139"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15356"
                           xFract="0.25516114"
                           y3="0.00215"
                           yFract="0.00025474"
                           z3="8.45183"
                           zFract="0.38037039"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33466"
                           xFract="0.75055213"
                           y3="0.15747"
                           yFract="0.01865758"
                           z3="8.50402"
                           zFract="0.38271917"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27708"
                           xFract="0.98069668"
                           y3="2.04949"
                           yFract="0.24283057"
                           z3="6.22064"
                           zFract="0.2799568"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1462"
                           xFract="0.2542891"
                           y3="8.43341"
                           yFract="0.99921919"
                           z3="6.31138"
                           zFract="0.2840405"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00208"
                           xFract="-0.00024645"
                           y3="-0.01041"
                           yFract="-0.00123341"
                           z3="4.2576"
                           zFract="0.19161116"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3902"
                           xFract="0.99409953"
                           y3="0.14481"
                           yFract="0.01715758"
                           z3="8.41448"
                           zFract="0.37868947"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10901"
                           xFract="0.2498827"
                           y3="2.11099"
                           yFract="0.2501173"
                           z3="4.27593"
                           zFract="0.19243609"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9617"
                           xFract="0.23242891"
                           y3="2.03966"
                           yFract="0.24166588"
                           z3="8.53759"
                           zFract="0.38422997"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39638"
                           xFract="0.5208981"
                           y3="2.10938"
                           yFract="0.24992654"
                           z3="6.27261"
                           zFract="0.28229568"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33313"
                           xFract="0.75037085"
                           y3="8.36078"
                           yFract="0.99061374"
                           z3="6.32024"
                           zFract="0.28443924"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21007"
                           xFract="0.49882346"
                           y3="8.31234"
                           yFract="0.98487441"
                           z3="4.20956"
                           zFract="0.18944914"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30967"
                           xFract="0.51062441"
                           y3="0.0057"
                           yFract="0.00067536"
                           z3="8.47055"
                           zFract="0.38121287"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30713"
                           xFract="0.74729028"
                           y3="2.07226"
                           yFract="0.24552844"
                           z3="4.04788"
                           zFract="0.18217282"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65455"
                           xFract="0.78845379"
                           y3="2.18715"
                           yFract="0.259141"
                           z3="8.97183"
                           zFract="0.40377273"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41193"
                           xFract="0.99667417"
                           y3="6.46071"
                           yFract="0.76548697"
                           z3="6.41045"
                           zFract="0.2884991"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94839"
                           xFract="0.2308519"
                           y3="4.23931"
                           yFract="0.50228791"
                           z3="6.43875"
                           zFract="0.28977273"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02094"
                           xFract="0.00248104"
                           y3="4.20422"
                           yFract="0.49813033"
                           z3="4.11942"
                           zFract="0.18539244"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.28082"
                           xFract="0.03327251"
                           y3="3.99905"
                           yFract="0.47382109"
                           z3="9.33297"
                           zFract="0.42002565"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20389"
                           xFract="0.26112441"
                           y3="6.3237"
                           yFract="0.74925355"
                           z3="4.29171"
                           zFract="0.19314626"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04369"
                           xFract="0.24214336"
                           y3="6.37398"
                           yFract="0.7552109"
                           z3="8.48859"
                           zFract="0.38202475"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22426"
                           xFract="0.50050474"
                           y3="6.34075"
                           yFract="0.7512737"
                           z3="6.29779"
                           zFract="0.28342889"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43145"
                           xFract="0.76202014"
                           y3="4.30638"
                           yFract="0.5102346"
                           z3="6.33487"
                           zFract="0.28509766"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18797"
                           xFract="0.49620498"
                           y3="4.36994"
                           yFract="0.5177654"
                           z3="4.29242"
                           zFract="0.19317822"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14359"
                           xFract="0.49094668"
                           y3="4.22208"
                           yFract="0.50024645"
                           z3="8.51517"
                           zFract="0.38322097"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18654"
                           xFract="0.73300237"
                           y3="6.3603"
                           yFract="0.75359005"
                           z3="4.23362"
                           zFract="0.19053195"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42964"
                           xFract="0.76180569"
                           y3="6.22434"
                           yFract="0.73748104"
                           z3="8.47832"
                           zFract="0.38156256"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.96">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.08913"
                           xFract="0.01056043"
                           y3="4.10413"
                           yFract="0.48627133"
                           z3="10.28699"
                           zFract="0.46296085"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02208"
                           xFract="-0.00261611"
                           y3="6.42155"
                           yFract="0.76084716"
                           z3="8.49887"
                           zFract="0.3824874"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33563"
                           xFract="0.75066706"
                           y3="0.00921"
                           yFract="0.00109123"
                           z3="4.24917"
                           zFract="0.19123177"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0768"
                           xFract="0.00909953"
                           y3="2.06187"
                           yFract="0.24429739"
                           z3="8.86506"
                           zFract="0.3989676"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3505"
                           xFract="0.75242891"
                           y3="6.33414"
                           yFract="0.75049052"
                           z3="6.38534"
                           zFract="0.28736904"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2026"
                           xFract="0.49793839"
                           y3="6.33888"
                           yFract="0.75105213"
                           z3="4.23347"
                           zFract="0.1905252"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42179"
                           xFract="0.99784242"
                           y3="0.06187"
                           yFract="0.00733057"
                           z3="6.36992"
                           zFract="0.28667507"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41531"
                           xFract="0.99707464"
                           y3="2.10394"
                           yFract="0.24928199"
                           z3="4.20017"
                           zFract="0.18902655"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12793"
                           xFract="0.25212441"
                           y3="4.18248"
                           yFract="0.4955545"
                           z3="8.49897"
                           zFract="0.3824919"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08979"
                           xFract="0.24760545"
                           y3="4.20774"
                           yFract="0.49854739"
                           z3="4.26087"
                           zFract="0.19175833"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0674"
                           xFract="0.24495261"
                           y3="6.34186"
                           yFract="0.75140521"
                           z3="6.38239"
                           zFract="0.28723627"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09316"
                           xFract="0.24800474"
                           y3="0.00521"
                           yFract="0.0006173"
                           z3="4.22494"
                           zFract="0.19014131"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24973"
                           xFract="0.50352251"
                           y3="0.03942"
                           yFract="0.00467062"
                           z3="6.32306"
                           zFract="0.28456616"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35383"
                           xFract="0.75282346"
                           y3="2.12394"
                           yFract="0.25165166"
                           z3="6.40164"
                           zFract="0.28810261"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.35428"
                           xFract="0.75287678"
                           y3="4.12591"
                           yFract="0.4888519"
                           z3="8.63711"
                           zFract="0.38870882"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27763"
                           xFract="0.5068282"
                           y3="2.13966"
                           yFract="0.25351422"
                           z3="8.5771"
                           zFract="0.3860081"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42115"
                           xFract="0.99776659"
                           y3="6.31311"
                           yFract="0.74799882"
                           z3="4.26493"
                           zFract="0.19194104"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39846"
                           xFract="0.9950782"
                           y3="4.19288"
                           yFract="0.49678673"
                           z3="6.39721"
                           zFract="0.28790324"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21704"
                           xFract="0.49964929"
                           y3="2.11194"
                           yFract="0.25022986"
                           z3="4.21206"
                           zFract="0.18956166"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03681"
                           xFract="0.2413282"
                           y3="2.09537"
                           yFract="0.24826659"
                           z3="6.41184"
                           zFract="0.28856166"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3563"
                           xFract="0.75311611"
                           y3="4.20709"
                           yFract="0.49847038"
                           z3="4.25823"
                           zFract="0.19163951"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.30132"
                           xFract="0.50963507"
                           y3="6.31704"
                           yFract="0.74846445"
                           z3="8.48602"
                           zFract="0.38190909"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26281"
                           xFract="0.50507227"
                           y3="4.17471"
                           yFract="0.49463389"
                           z3="6.41965"
                           zFract="0.28891314"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1543"
                           xFract="0.25524882"
                           y3="0.00217"
                           yFract="0.00025711"
                           z3="8.4517"
                           zFract="0.38036454"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33462"
                           xFract="0.75054739"
                           y3="0.15956"
                           yFract="0.01890521"
                           z3="8.50392"
                           zFract="0.38271467"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27645"
                           xFract="0.98062204"
                           y3="2.0494"
                           yFract="0.24281991"
                           z3="6.22108"
                           zFract="0.2799766"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1463"
                           xFract="0.25430095"
                           y3="8.43337"
                           yFract="0.99921445"
                           z3="6.31193"
                           zFract="0.28406526"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00263"
                           xFract="-0.00031161"
                           y3="-0.00958"
                           yFract="-0.00113507"
                           z3="4.25716"
                           zFract="0.19159136"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38888"
                           xFract="0.99394313"
                           y3="0.14532"
                           yFract="0.01721801"
                           z3="8.41487"
                           zFract="0.37870702"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10939"
                           xFract="0.24992773"
                           y3="2.11166"
                           yFract="0.25019668"
                           z3="4.27667"
                           zFract="0.1924694"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96206"
                           xFract="0.23247156"
                           y3="2.03891"
                           yFract="0.24157701"
                           z3="8.53772"
                           zFract="0.38423582"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3958"
                           xFract="0.52082938"
                           y3="2.10983"
                           yFract="0.24997986"
                           z3="6.2730"
                           zFract="0.28231323"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33268"
                           xFract="0.75031754"
                           y3="8.36063"
                           yFract="0.99059597"
                           z3="6.32017"
                           zFract="0.28443609"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21056"
                           xFract="0.49888152"
                           y3="8.31013"
                           yFract="0.98461256"
                           z3="4.20977"
                           zFract="0.1894586"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31023"
                           xFract="0.51069076"
                           y3="0.00593"
                           yFract="0.00070261"
                           z3="8.47086"
                           zFract="0.38122682"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30663"
                           xFract="0.74723104"
                           y3="2.07261"
                           yFract="0.24556991"
                           z3="4.04799"
                           zFract="0.18217777"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6558"
                           xFract="0.7886019"
                           y3="2.18802"
                           yFract="0.25924408"
                           z3="8.97425"
                           zFract="0.40388164"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41164"
                           xFract="0.99663981"
                           y3="6.46084"
                           yFract="0.76550237"
                           z3="6.41036"
                           zFract="0.28849505"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94863"
                           xFract="0.23088033"
                           y3="4.2398"
                           yFract="0.50234597"
                           z3="6.43889"
                           zFract="0.28977903"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02061"
                           xFract="0.00244194"
                           y3="4.20377"
                           yFract="0.49807701"
                           z3="4.11966"
                           zFract="0.18540324"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.28283"
                           xFract="0.03351066"
                           y3="3.99782"
                           yFract="0.47367536"
                           z3="9.33373"
                           zFract="0.42005986"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20415"
                           xFract="0.26115521"
                           y3="6.32294"
                           yFract="0.74916351"
                           z3="4.29139"
                           zFract="0.19313186"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04397"
                           xFract="0.24217654"
                           y3="6.37408"
                           yFract="0.75522275"
                           z3="8.48893"
                           zFract="0.38204005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22452"
                           xFract="0.50053555"
                           y3="6.34032"
                           yFract="0.75122275"
                           z3="6.2973"
                           zFract="0.28340684"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43061"
                           xFract="0.76192062"
                           y3="4.30588"
                           yFract="0.51017536"
                           z3="6.33448"
                           zFract="0.28508011"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18866"
                           xFract="0.49628673"
                           y3="4.36809"
                           yFract="0.51754621"
                           z3="4.29296"
                           zFract="0.19320252"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14306"
                           xFract="0.49088389"
                           y3="4.22235"
                           yFract="0.50027844"
                           z3="8.5155"
                           zFract="0.38323582"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18774"
                           xFract="0.73314455"
                           y3="6.35968"
                           yFract="0.75351659"
                           z3="4.23341"
                           zFract="0.1905225"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42987"
                           xFract="0.76183294"
                           y3="6.2220"
                           yFract="0.73720379"
                           z3="8.4775"
                           zFract="0.38152565"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.97">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.09014"
                           xFract="0.01068009"
                           y3="4.10297"
                           yFract="0.48613389"
                           z3="10.2860"
                           zFract="0.46291629"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02249"
                           xFract="-0.00266469"
                           y3="6.42189"
                           yFract="0.76088744"
                           z3="8.49883"
                           zFract="0.3824856"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33547"
                           xFract="0.7506481"
                           y3="0.00925"
                           yFract="0.00109597"
                           z3="4.24922"
                           zFract="0.19123402"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07739"
                           xFract="0.00916943"
                           y3="2.0615"
                           yFract="0.24425355"
                           z3="8.8652"
                           zFract="0.3989739"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35068"
                           xFract="0.75245024"
                           y3="6.33412"
                           yFract="0.75048815"
                           z3="6.38519"
                           zFract="0.28736229"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20185"
                           xFract="0.49784953"
                           y3="6.3403"
                           yFract="0.75122038"
                           z3="4.23345"
                           zFract="0.1905243"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42184"
                           xFract="0.99784834"
                           y3="0.06172"
                           yFract="0.0073128"
                           z3="6.36978"
                           zFract="0.28666877"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41532"
                           xFract="0.99707583"
                           y3="2.10395"
                           yFract="0.24928318"
                           z3="4.1999"
                           zFract="0.1890144"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12844"
                           xFract="0.25218483"
                           y3="4.18293"
                           yFract="0.49560782"
                           z3="8.4991"
                           zFract="0.38249775"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08962"
                           xFract="0.24758531"
                           y3="4.2078"
                           yFract="0.4985545"
                           z3="4.2610"
                           zFract="0.19176418"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06733"
                           xFract="0.24494431"
                           y3="6.34217"
                           yFract="0.75144194"
                           z3="6.3827"
                           zFract="0.28725023"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09319"
                           xFract="0.24800829"
                           y3="0.00522"
                           yFract="0.00061848"
                           z3="4.22481"
                           zFract="0.19013546"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24962"
                           xFract="0.50350948"
                           y3="0.03938"
                           yFract="0.00466588"
                           z3="6.32326"
                           zFract="0.28457516"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35428"
                           xFract="0.75287678"
                           y3="2.12388"
                           yFract="0.25164455"
                           z3="6.40171"
                           zFract="0.28810576"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.35534"
                           xFract="0.75300237"
                           y3="4.12561"
                           yFract="0.48881635"
                           z3="8.63709"
                           zFract="0.38870792"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27742"
                           xFract="0.50680332"
                           y3="2.13985"
                           yFract="0.25353673"
                           z3="8.57718"
                           zFract="0.3860117"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42125"
                           xFract="0.99777844"
                           y3="6.31313"
                           yFract="0.74800118"
                           z3="4.26504"
                           zFract="0.19194599"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39845"
                           xFract="0.99507701"
                           y3="4.19267"
                           yFract="0.49676185"
                           z3="6.39738"
                           zFract="0.28791089"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21709"
                           xFract="0.49965521"
                           y3="2.11218"
                           yFract="0.25025829"
                           z3="4.21239"
                           zFract="0.18957651"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03676"
                           xFract="0.24132227"
                           y3="2.09559"
                           yFract="0.24829265"
                           z3="6.41222"
                           zFract="0.28857876"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35663"
                           xFract="0.75315521"
                           y3="4.20714"
                           yFract="0.4984763"
                           z3="4.25823"
                           zFract="0.19163951"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.30213"
                           xFract="0.50973104"
                           y3="6.31692"
                           yFract="0.74845024"
                           z3="8.48653"
                           zFract="0.38193204"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26289"
                           xFract="0.50508175"
                           y3="4.17477"
                           yFract="0.494641"
                           z3="6.4200"
                           zFract="0.28892889"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15469"
                           xFract="0.25529502"
                           y3="0.00218"
                           yFract="0.00025829"
                           z3="8.45153"
                           zFract="0.38035689"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33458"
                           xFract="0.75054265"
                           y3="0.16063"
                           yFract="0.01903199"
                           z3="8.5038"
                           zFract="0.38270927"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27634"
                           xFract="0.980609"
                           y3="2.04938"
                           yFract="0.24281754"
                           z3="6.22134"
                           zFract="0.2799883"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14644"
                           xFract="0.25431754"
                           y3="8.43323"
                           yFract="0.99919787"
                           z3="6.31226"
                           zFract="0.28408011"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00287"
                           xFract="-0.00034005"
                           y3="-0.00914"
                           yFract="-0.00108294"
                           z3="4.25696"
                           zFract="0.19158236"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38823"
                           xFract="0.99386611"
                           y3="0.14569"
                           yFract="0.01726185"
                           z3="8.41505"
                           zFract="0.37871512"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10962"
                           xFract="0.24995498"
                           y3="2.11194"
                           yFract="0.25022986"
                           z3="4.27706"
                           zFract="0.19248695"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96213"
                           xFract="0.23247986"
                           y3="2.03848"
                           yFract="0.24152607"
                           z3="8.53768"
                           zFract="0.38423402"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39566"
                           xFract="0.5208128"
                           y3="2.10991"
                           yFract="0.24998934"
                           z3="6.27316"
                           zFract="0.28232043"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33247"
                           xFract="0.75029265"
                           y3="8.36052"
                           yFract="0.99058294"
                           z3="6.32006"
                           zFract="0.28443114"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21067"
                           xFract="0.49889455"
                           y3="8.30958"
                           yFract="0.98454739"
                           z3="4.20991"
                           zFract="0.1894649"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31057"
                           xFract="0.51073104"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="8.4711"
                           zFract="0.38123762"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30622"
                           xFract="0.74718246"
                           y3="2.07273"
                           yFract="0.24558412"
                           z3="4.04804"
                           zFract="0.18218002"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65665"
                           xFract="0.78870261"
                           y3="2.18846"
                           yFract="0.25929621"
                           z3="8.97535"
                           zFract="0.40393114"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41158"
                           xFract="0.9966327"
                           y3="6.4610"
                           yFract="0.76552133"
                           z3="6.41047"
                           zFract="0.2885"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94876"
                           xFract="0.23089573"
                           y3="4.24012"
                           yFract="0.50238389"
                           z3="6.43893"
                           zFract="0.28978083"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02049"
                           xFract="0.00242773"
                           y3="4.20359"
                           yFract="0.49805569"
                           z3="4.11978"
                           zFract="0.18540864"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.28324"
                           xFract="0.03355924"
                           y3="3.99742"
                           yFract="0.47362796"
                           z3="9.33646"
                           zFract="0.42018272"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2041"
                           xFract="0.26114929"
                           y3="6.3228"
                           yFract="0.74914692"
                           z3="4.29127"
                           zFract="0.19312646"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04411"
                           xFract="0.24219313"
                           y3="6.37415"
                           yFract="0.75523104"
                           z3="8.48915"
                           zFract="0.38204995"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2247"
                           xFract="0.50055687"
                           y3="6.34034"
                           yFract="0.75122512"
                           z3="6.29713"
                           zFract="0.28339919"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43031"
                           xFract="0.76188507"
                           y3="4.30564"
                           yFract="0.51014692"
                           z3="6.33435"
                           zFract="0.28507426"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18894"
                           xFract="0.49631991"
                           y3="4.36781"
                           yFract="0.51751303"
                           z3="4.29326"
                           zFract="0.19321602"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14296"
                           xFract="0.49087204"
                           y3="4.22246"
                           yFract="0.50029147"
                           z3="8.51575"
                           zFract="0.38324707"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1882"
                           xFract="0.73319905"
                           y3="6.3596"
                           yFract="0.75350711"
                           z3="4.23324"
                           zFract="0.19051485"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42994"
                           xFract="0.76184123"
                           y3="6.22067"
                           yFract="0.73704621"
                           z3="8.4771"
                           zFract="0.38150765"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.98">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.09066"
                           xFract="0.01074171"
                           y3="4.10237"
                           yFract="0.4860628"
                           z3="10.28548"
                           zFract="0.46289289"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0227"
                           xFract="-0.00268957"
                           y3="6.42206"
                           yFract="0.76090758"
                           z3="8.49881"
                           zFract="0.3824847"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33538"
                           xFract="0.75063744"
                           y3="0.00926"
                           yFract="0.00109716"
                           z3="4.24925"
                           zFract="0.19123537"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0777"
                           xFract="0.00920616"
                           y3="2.06131"
                           yFract="0.24423104"
                           z3="8.86528"
                           zFract="0.3989775"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35077"
                           xFract="0.7524609"
                           y3="6.33411"
                           yFract="0.75048697"
                           z3="6.38512"
                           zFract="0.28735914"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20145"
                           xFract="0.49780213"
                           y3="6.34103"
                           yFract="0.75130687"
                           z3="4.23344"
                           zFract="0.19052385"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42186"
                           xFract="0.99785071"
                           y3="0.06164"
                           yFract="0.00730332"
                           z3="6.3697"
                           zFract="0.28666517"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41533"
                           xFract="0.99707701"
                           y3="2.10395"
                           yFract="0.24928318"
                           z3="4.19976"
                           zFract="0.1890081"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12871"
                           xFract="0.25221682"
                           y3="4.18316"
                           yFract="0.49563507"
                           z3="8.49916"
                           zFract="0.38250045"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08952"
                           xFract="0.24757346"
                           y3="4.20783"
                           yFract="0.49855806"
                           z3="4.26107"
                           zFract="0.19176733"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0673"
                           xFract="0.24494076"
                           y3="6.34234"
                           yFract="0.75146209"
                           z3="6.38286"
                           zFract="0.28725743"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09321"
                           xFract="0.24801066"
                           y3="0.00523"
                           yFract="0.00061967"
                           z3="4.22474"
                           zFract="0.19013231"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24956"
                           xFract="0.50350237"
                           y3="0.03935"
                           yFract="0.00466232"
                           z3="6.32337"
                           zFract="0.28458011"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35452"
                           xFract="0.75290521"
                           y3="2.12385"
                           yFract="0.251641"
                           z3="6.40175"
                           zFract="0.28810756"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3559"
                           xFract="0.75306872"
                           y3="4.12546"
                           yFract="0.48879858"
                           z3="8.63708"
                           zFract="0.38870747"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27732"
                           xFract="0.50679147"
                           y3="2.13995"
                           yFract="0.25354858"
                           z3="8.57722"
                           zFract="0.3860135"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4213"
                           xFract="0.99778436"
                           y3="6.31314"
                           yFract="0.74800237"
                           z3="4.2651"
                           zFract="0.19194869"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39844"
                           xFract="0.99507583"
                           y3="4.19256"
                           yFract="0.49674882"
                           z3="6.39747"
                           zFract="0.28791494"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21711"
                           xFract="0.49965758"
                           y3="2.11231"
                           yFract="0.2502737"
                           z3="4.21255"
                           zFract="0.18958371"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03674"
                           xFract="0.24131991"
                           y3="2.0957"
                           yFract="0.24830569"
                           z3="6.41242"
                           zFract="0.28858776"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3568"
                           xFract="0.75317536"
                           y3="4.20717"
                           yFract="0.49847986"
                           z3="4.25823"
                           zFract="0.19163951"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.30255"
                           xFract="0.50978081"
                           y3="6.31686"
                           yFract="0.74844313"
                           z3="8.4868"
                           zFract="0.38194419"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26293"
                           xFract="0.50508649"
                           y3="4.1748"
                           yFract="0.49464455"
                           z3="6.42018"
                           zFract="0.28893699"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1549"
                           xFract="0.25531991"
                           y3="0.00219"
                           yFract="0.00025948"
                           z3="8.45145"
                           zFract="0.38035329"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33456"
                           xFract="0.75054028"
                           y3="0.16119"
                           yFract="0.01909834"
                           z3="8.50374"
                           zFract="0.38270657"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27629"
                           xFract="0.98060308"
                           y3="2.04936"
                           yFract="0.24281517"
                           z3="6.22148"
                           zFract="0.2799946"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14652"
                           xFract="0.25432701"
                           y3="8.43316"
                           yFract="0.99918957"
                           z3="6.31243"
                           zFract="0.28408776"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00299"
                           xFract="-0.00035427"
                           y3="-0.00891"
                           yFract="-0.00105569"
                           z3="4.25686"
                           zFract="0.19157786"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3879"
                           xFract="0.99382701"
                           y3="0.14588"
                           yFract="0.01728436"
                           z3="8.41514"
                           zFract="0.37871917"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10974"
                           xFract="0.24996919"
                           y3="2.11208"
                           yFract="0.25024645"
                           z3="4.27727"
                           zFract="0.1924964"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96217"
                           xFract="0.2324846"
                           y3="2.03826"
                           yFract="0.2415"
                           z3="8.53766"
                           zFract="0.38423312"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39558"
                           xFract="0.52080332"
                           y3="2.10995"
                           yFract="0.24999408"
                           z3="6.27324"
                           zFract="0.28232403"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33236"
                           xFract="0.75027962"
                           y3="8.36046"
                           yFract="0.99057583"
                           z3="6.32001"
                           zFract="0.28442889"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21074"
                           xFract="0.49890284"
                           y3="8.30929"
                           yFract="0.98451303"
                           z3="4.20999"
                           zFract="0.1894685"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31074"
                           xFract="0.51075118"
                           y3="0.0061"
                           yFract="0.00072275"
                           z3="8.47122"
                           zFract="0.38124302"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3060"
                           xFract="0.7471564"
                           y3="2.07279"
                           yFract="0.24559123"
                           z3="4.04807"
                           zFract="0.18218137"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6571"
                           xFract="0.78875592"
                           y3="2.18869"
                           yFract="0.25932346"
                           z3="8.97593"
                           zFract="0.40395725"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41154"
                           xFract="0.99662796"
                           y3="6.46108"
                           yFract="0.76553081"
                           z3="6.41052"
                           zFract="0.28850225"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94883"
                           xFract="0.23090403"
                           y3="4.24029"
                           yFract="0.50240403"
                           z3="6.43895"
                           zFract="0.28978173"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02042"
                           xFract="0.00241943"
                           y3="4.20349"
                           yFract="0.49804384"
                           z3="4.11984"
                           zFract="0.18541134"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.28346"
                           xFract="0.03358531"
                           y3="3.99721"
                           yFract="0.47360308"
                           z3="9.33789"
                           zFract="0.42024707"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20407"
                           xFract="0.26114573"
                           y3="6.32273"
                           yFract="0.74913863"
                           z3="4.29121"
                           zFract="0.19312376"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04418"
                           xFract="0.24220142"
                           y3="6.37419"
                           yFract="0.75523578"
                           z3="8.48926"
                           zFract="0.38205491"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2248"
                           xFract="0.50056872"
                           y3="6.34035"
                           yFract="0.7512263"
                           z3="6.29705"
                           zFract="0.28339559"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43015"
                           xFract="0.76186611"
                           y3="4.30551"
                           yFract="0.51013152"
                           z3="6.33428"
                           zFract="0.28507111"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18909"
                           xFract="0.49633768"
                           y3="4.36766"
                           yFract="0.51749526"
                           z3="4.29341"
                           zFract="0.19322277"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1429"
                           xFract="0.49086493"
                           y3="4.22252"
                           yFract="0.50029858"
                           z3="8.51588"
                           zFract="0.38325293"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18843"
                           xFract="0.7332263"
                           y3="6.35956"
                           yFract="0.75350237"
                           z3="4.23315"
                           zFract="0.1905108"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.42998"
                           xFract="0.76184597"
                           y3="6.21998"
                           yFract="0.73696445"
                           z3="8.47688"
                           zFract="0.38149775"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.99">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.09145"
                           xFract="0.01083531"
                           y3="4.10135"
                           yFract="0.48594194"
                           z3="10.28628"
                           zFract="0.46292889"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02308"
                           xFract="-0.0027346"
                           y3="6.42229"
                           yFract="0.76093483"
                           z3="8.49866"
                           zFract="0.38247795"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33535"
                           xFract="0.75063389"
                           y3="0.0093"
                           yFract="0.0011019"
                           z3="4.24928"
                           zFract="0.19123672"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0780"
                           xFract="0.00924171"
                           y3="2.06118"
                           yFract="0.24421564"
                           z3="8.86559"
                           zFract="0.39899145"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35078"
                           xFract="0.75246209"
                           y3="6.33388"
                           yFract="0.75045972"
                           z3="6.38477"
                           zFract="0.28734338"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2015"
                           xFract="0.49780806"
                           y3="6.34062"
                           yFract="0.75125829"
                           z3="4.23356"
                           zFract="0.19052925"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42179"
                           xFract="0.99784242"
                           y3="0.06145"
                           yFract="0.00728081"
                           z3="6.36951"
                           zFract="0.28665662"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41533"
                           xFract="0.99707701"
                           y3="2.10393"
                           yFract="0.24928081"
                           z3="4.19933"
                           zFract="0.18898875"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12908"
                           xFract="0.25226066"
                           y3="4.18368"
                           yFract="0.49569668"
                           z3="8.49932"
                           zFract="0.38250765"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08951"
                           xFract="0.24757227"
                           y3="4.20788"
                           yFract="0.49856398"
                           z3="4.26124"
                           zFract="0.19177498"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06722"
                           xFract="0.24493128"
                           y3="6.34256"
                           yFract="0.75148815"
                           z3="6.38319"
                           zFract="0.28727228"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09308"
                           xFract="0.24799526"
                           y3="0.00535"
                           yFract="0.00063389"
                           z3="4.22455"
                           zFract="0.19012376"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24951"
                           xFract="0.50349645"
                           y3="0.03933"
                           yFract="0.00465995"
                           z3="6.32369"
                           zFract="0.28459451"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35465"
                           xFract="0.75292062"
                           y3="2.12378"
                           yFract="0.2516327"
                           z3="6.40186"
                           zFract="0.28811251"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.35712"
                           xFract="0.75321327"
                           y3="4.12508"
                           yFract="0.48875355"
                           z3="8.63705"
                           zFract="0.38870612"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27709"
                           xFract="0.50676422"
                           y3="2.14018"
                           yFract="0.25357583"
                           z3="8.57732"
                           zFract="0.386018"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42138"
                           xFract="0.99779384"
                           y3="6.31316"
                           yFract="0.74800474"
                           z3="4.26522"
                           zFract="0.1919541"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39842"
                           xFract="0.99507346"
                           y3="4.19229"
                           yFract="0.49671682"
                           z3="6.39766"
                           zFract="0.28792349"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21715"
                           xFract="0.49966232"
                           y3="2.11267"
                           yFract="0.25031635"
                           z3="4.21288"
                           zFract="0.18959856"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03664"
                           xFract="0.24130806"
                           y3="2.09602"
                           yFract="0.2483436"
                           z3="6.41281"
                           zFract="0.28860531"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35697"
                           xFract="0.7531955"
                           y3="4.20733"
                           yFract="0.49849882"
                           z3="4.2582"
                           zFract="0.19163816"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.30342"
                           xFract="0.50988389"
                           y3="6.31678"
                           yFract="0.74843365"
                           z3="8.48736"
                           zFract="0.3819694"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26299"
                           xFract="0.5050936"
                           y3="4.17492"
                           yFract="0.49465877"
                           z3="6.42035"
                           zFract="0.28894464"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15532"
                           xFract="0.25536967"
                           y3="0.00213"
                           yFract="0.00025237"
                           z3="8.45125"
                           zFract="0.38034428"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33446"
                           xFract="0.75052844"
                           y3="0.16241"
                           yFract="0.01924289"
                           z3="8.50358"
                           zFract="0.38269937"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27643"
                           xFract="0.98061967"
                           y3="2.04933"
                           yFract="0.24281161"
                           z3="6.22172"
                           zFract="0.2800054"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14671"
                           xFract="0.25434953"
                           y3="8.43297"
                           yFract="0.99916706"
                           z3="6.31273"
                           zFract="0.28410126"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00317"
                           xFract="-0.00037559"
                           y3="-0.00844"
                           yFract="-0.0010"
                           z3="4.25669"
                           zFract="0.19157021"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38725"
                           xFract="0.99375"
                           y3="0.14629"
                           yFract="0.01733294"
                           z3="8.41527"
                           zFract="0.37872502"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10998"
                           xFract="0.24999763"
                           y3="2.11228"
                           yFract="0.25027014"
                           z3="4.27773"
                           zFract="0.1925171"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96224"
                           xFract="0.23249289"
                           y3="2.03783"
                           yFract="0.24144905"
                           z3="8.53751"
                           zFract="0.38422637"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39562"
                           xFract="0.52080806"
                           y3="2.1099"
                           yFract="0.24998815"
                           z3="6.27343"
                           zFract="0.28233258"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33218"
                           xFract="0.75025829"
                           y3="8.36032"
                           yFract="0.99055924"
                           z3="6.31984"
                           zFract="0.28442124"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21072"
                           xFract="0.49890047"
                           y3="8.30932"
                           yFract="0.98451659"
                           z3="4.21016"
                           zFract="0.18947615"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31116"
                           xFract="0.51080095"
                           y3="0.00618"
                           yFract="0.00073223"
                           z3="8.47153"
                           zFract="0.38125698"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30551"
                           xFract="0.74709834"
                           y3="2.07285"
                           yFract="0.24559834"
                           z3="4.04812"
                           zFract="0.18218362"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.65814"
                           xFract="0.78887915"
                           y3="2.18917"
                           yFract="0.25938033"
                           z3="8.9770"
                           zFract="0.4040054"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41156"
                           xFract="0.99663033"
                           y3="6.46131"
                           yFract="0.76555806"
                           z3="6.41075"
                           zFract="0.2885126"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94896"
                           xFract="0.23091943"
                           y3="4.24065"
                           yFract="0.50244668"
                           z3="6.43902"
                           zFract="0.28978488"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02036"
                           xFract="0.00241232"
                           y3="4.20333"
                           yFract="0.49802488"
                           z3="4.11998"
                           zFract="0.18541764"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.28445"
                           xFract="0.03370261"
                           y3="3.99646"
                           yFract="0.47351422"
                           z3="9.33889"
                           zFract="0.42029208"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20383"
                           xFract="0.2611173"
                           y3="6.32284"
                           yFract="0.74915166"
                           z3="4.29116"
                           zFract="0.19312151"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04428"
                           xFract="0.24221327"
                           y3="6.37432"
                           yFract="0.75525118"
                           z3="8.48953"
                           zFract="0.38206706"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2250"
                           xFract="0.50059242"
                           y3="6.34058"
                           yFract="0.75125355"
                           z3="6.29691"
                           zFract="0.28338929"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42996"
                           xFract="0.7618436"
                           y3="4.30525"
                           yFract="0.51010071"
                           z3="6.3342"
                           zFract="0.28506751"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18929"
                           xFract="0.49636137"
                           y3="4.36809"
                           yFract="0.51754621"
                           z3="4.2937"
                           zFract="0.19323582"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1430"
                           xFract="0.49087678"
                           y3="4.22261"
                           yFract="0.50030924"
                           z3="8.51621"
                           zFract="0.38326778"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18867"
                           xFract="0.73325474"
                           y3="6.35969"
                           yFract="0.75351777"
                           z3="4.23294"
                           zFract="0.19050135"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43005"
                           xFract="0.76185427"
                           y3="6.21839"
                           yFract="0.73677607"
                           z3="8.47646"
                           zFract="0.38147885"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.100">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.09382"
                           xFract="0.01111611"
                           y3="4.09828"
                           yFract="0.4855782"
                           z3="10.2887"
                           zFract="0.4630378"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02419"
                           xFract="-0.00286611"
                           y3="6.42297"
                           yFract="0.7610154"
                           z3="8.49822"
                           zFract="0.38245815"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33523"
                           xFract="0.75061967"
                           y3="0.00941"
                           yFract="0.00111493"
                           z3="4.24935"
                           zFract="0.19123987"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.07889"
                           xFract="0.00934716"
                           y3="2.06079"
                           yFract="0.24416943"
                           z3="8.86654"
                           zFract="0.3990342"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35079"
                           xFract="0.75246327"
                           y3="6.33317"
                           yFract="0.75037559"
                           z3="6.38374"
                           zFract="0.28729703"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20164"
                           xFract="0.49782464"
                           y3="6.33937"
                           yFract="0.75111019"
                           z3="4.23391"
                           zFract="0.190545"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42159"
                           xFract="0.99781872"
                           y3="0.06089"
                           yFract="0.00721445"
                           z3="6.36893"
                           zFract="0.28663051"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41532"
                           xFract="0.99707583"
                           y3="2.10388"
                           yFract="0.24927488"
                           z3="4.19802"
                           zFract="0.18892979"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13017"
                           xFract="0.25238981"
                           y3="4.18525"
                           yFract="0.4958827"
                           z3="8.49979"
                           zFract="0.3825288"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08949"
                           xFract="0.24756991"
                           y3="4.20803"
                           yFract="0.49858175"
                           z3="4.26175"
                           zFract="0.19179793"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06698"
                           xFract="0.24490284"
                           y3="6.34325"
                           yFract="0.75156991"
                           z3="6.38419"
                           zFract="0.28731728"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09269"
                           xFract="0.24794905"
                           y3="0.00571"
                           yFract="0.00067654"
                           z3="4.22398"
                           zFract="0.19009811"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24936"
                           xFract="0.50347867"
                           y3="0.03928"
                           yFract="0.00465403"
                           z3="6.32467"
                           zFract="0.28463861"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35502"
                           xFract="0.75296445"
                           y3="2.12358"
                           yFract="0.251609"
                           z3="6.40219"
                           zFract="0.28812736"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.36079"
                           xFract="0.7536481"
                           y3="4.12394"
                           yFract="0.48861848"
                           z3="8.63696"
                           zFract="0.38870207"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27642"
                           xFract="0.50668483"
                           y3="2.14088"
                           yFract="0.25365877"
                           z3="8.57763"
                           zFract="0.38603195"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42162"
                           xFract="0.99782227"
                           y3="6.31323"
                           yFract="0.74801303"
                           z3="4.26558"
                           zFract="0.1919703"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39835"
                           xFract="0.99506517"
                           y3="4.19147"
                           yFract="0.49661967"
                           z3="6.39823"
                           zFract="0.28794914"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21725"
                           xFract="0.49967417"
                           y3="2.11376"
                           yFract="0.2504455"
                           z3="4.21386"
                           zFract="0.18964266"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03634"
                           xFract="0.24127251"
                           y3="2.09696"
                           yFract="0.24845498"
                           z3="6.41397"
                           zFract="0.28865752"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35748"
                           xFract="0.75325592"
                           y3="4.20781"
                           yFract="0.49855569"
                           z3="4.25811"
                           zFract="0.19163411"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.30602"
                           xFract="0.51019194"
                           y3="6.31657"
                           yFract="0.74840877"
                           z3="8.48902"
                           zFract="0.3820441"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26314"
                           xFract="0.50511137"
                           y3="4.17528"
                           yFract="0.49470142"
                           z3="6.42088"
                           zFract="0.2889685"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15658"
                           xFract="0.25551896"
                           y3="0.00194"
                           yFract="0.00022986"
                           z3="8.45067"
                           zFract="0.38031818"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33415"
                           xFract="0.75049171"
                           y3="0.16608"
                           yFract="0.01967773"
                           z3="8.50307"
                           zFract="0.38267642"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27685"
                           xFract="0.98066943"
                           y3="2.04924"
                           yFract="0.24280095"
                           z3="6.22243"
                           zFract="0.28003735"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14729"
                           xFract="0.25441825"
                           y3="8.43242"
                           yFract="0.9991019"
                           z3="6.31362"
                           zFract="0.28414131"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00373"
                           xFract="-0.00044194"
                           y3="-0.0070"
                           yFract="-0.00082938"
                           z3="4.2562"
                           zFract="0.19154815"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38531"
                           xFract="0.99352014"
                           y3="0.14753"
                           yFract="0.01747986"
                           z3="8.41564"
                           zFract="0.37874167"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1107"
                           xFract="0.25008294"
                           y3="2.11288"
                           yFract="0.25034123"
                           z3="4.27912"
                           zFract="0.19257966"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96244"
                           xFract="0.23251659"
                           y3="2.03653"
                           yFract="0.24129502"
                           z3="8.53709"
                           zFract="0.38420747"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39573"
                           xFract="0.52082109"
                           y3="2.10975"
                           yFract="0.24997038"
                           z3="6.2740"
                           zFract="0.28235824"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33162"
                           xFract="0.75019194"
                           y3="8.35989"
                           yFract="0.99050829"
                           z3="6.31936"
                           zFract="0.28439964"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21066"
                           xFract="0.49889336"
                           y3="8.30939"
                           yFract="0.98452488"
                           z3="4.21069"
                           zFract="0.1895"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31242"
                           xFract="0.51095024"
                           y3="0.00643"
                           yFract="0.00076185"
                           z3="8.47245"
                           zFract="0.38129838"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30404"
                           xFract="0.74692417"
                           y3="2.07303"
                           yFract="0.24561967"
                           z3="4.04828"
                           zFract="0.18219082"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.66127"
                           xFract="0.78925"
                           y3="2.19061"
                           yFract="0.25955095"
                           z3="8.98024"
                           zFract="0.40415122"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41162"
                           xFract="0.99663744"
                           y3="6.4620"
                           yFract="0.76563981"
                           z3="6.41145"
                           zFract="0.2885441"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94932"
                           xFract="0.23096209"
                           y3="4.24175"
                           yFract="0.50257701"
                           z3="6.43924"
                           zFract="0.28979478"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02017"
                           xFract="0.00238981"
                           y3="4.20284"
                           yFract="0.49796682"
                           z3="4.1204"
                           zFract="0.18543654"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.28742"
                           xFract="0.0340545"
                           y3="3.99421"
                           yFract="0.47324763"
                           z3="9.34187"
                           zFract="0.42042619"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20309"
                           xFract="0.26102962"
                           y3="6.32318"
                           yFract="0.74919194"
                           z3="4.2910"
                           zFract="0.19311431"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0446"
                           xFract="0.24225118"
                           y3="6.37473"
                           yFract="0.75529976"
                           z3="8.49032"
                           zFract="0.38210261"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22562"
                           xFract="0.50066588"
                           y3="6.34128"
                           yFract="0.75133649"
                           z3="6.2965"
                           zFract="0.28337084"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42936"
                           xFract="0.76177251"
                           y3="4.30448"
                           yFract="0.51000948"
                           z3="6.33399"
                           zFract="0.28505806"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18987"
                           xFract="0.49643009"
                           y3="4.36939"
                           yFract="0.51770024"
                           z3="4.29458"
                           zFract="0.19327543"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14328"
                           xFract="0.49090995"
                           y3="4.22287"
                           yFract="0.50034005"
                           z3="8.51719"
                           zFract="0.38331188"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1894"
                           xFract="0.73334123"
                           y3="6.3601"
                           yFract="0.75356635"
                           z3="4.23234"
                           zFract="0.19047435"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43027"
                           xFract="0.76188033"
                           y3="6.21362"
                           yFract="0.7362109"
                           z3="8.47518"
                           zFract="0.38142124"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.101">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.09856"
                           xFract="0.01167773"
                           y3="4.09216"
                           yFract="0.48485308"
                           z3="10.29353"
                           zFract="0.46325518"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02642"
                           xFract="-0.00313033"
                           y3="6.42433"
                           yFract="0.76117654"
                           z3="8.49733"
                           zFract="0.38241809"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33501"
                           xFract="0.7505936"
                           y3="0.00962"
                           yFract="0.00113981"
                           z3="4.2495"
                           zFract="0.19124662"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.08067"
                           xFract="0.00955806"
                           y3="2.06002"
                           yFract="0.2440782"
                           z3="8.86843"
                           zFract="0.39911926"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35082"
                           xFract="0.75246682"
                           y3="6.33175"
                           yFract="0.75020735"
                           z3="6.38167"
                           zFract="0.28720387"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20191"
                           xFract="0.49785664"
                           y3="6.33687"
                           yFract="0.75081398"
                           z3="4.2346"
                           zFract="0.19057606"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42119"
                           xFract="0.99777133"
                           y3="0.05976"
                           yFract="0.00708057"
                           z3="6.36778"
                           zFract="0.28657876"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41531"
                           xFract="0.99707464"
                           y3="2.10377"
                           yFract="0.24926185"
                           z3="4.1954"
                           zFract="0.18881188"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13235"
                           xFract="0.2526481"
                           y3="4.1884"
                           yFract="0.49625592"
                           z3="8.50072"
                           zFract="0.38257066"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08943"
                           xFract="0.2475628"
                           y3="4.20832"
                           yFract="0.49861611"
                           z3="4.26276"
                           zFract="0.19184338"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0665"
                           xFract="0.24484597"
                           y3="6.34461"
                           yFract="0.75173104"
                           z3="6.3862"
                           zFract="0.28740774"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09193"
                           xFract="0.247859"
                           y3="0.00644"
                           yFract="0.00076303"
                           z3="4.22283"
                           zFract="0.19004635"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24907"
                           xFract="0.50344431"
                           y3="0.03916"
                           yFract="0.00463981"
                           z3="6.32662"
                           zFract="0.28472637"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35577"
                           xFract="0.75305332"
                           y3="2.12316"
                           yFract="0.25155924"
                           z3="6.40284"
                           zFract="0.28815662"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.36812"
                           xFract="0.75451659"
                           y3="4.12166"
                           yFract="0.48834834"
                           z3="8.63679"
                           zFract="0.38869442"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27508"
                           xFract="0.50652607"
                           y3="2.14227"
                           yFract="0.25382346"
                           z3="8.57823"
                           zFract="0.38605896"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42209"
                           xFract="0.99787796"
                           y3="6.31335"
                           yFract="0.74802725"
                           z3="4.2663"
                           zFract="0.1920027"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39823"
                           xFract="0.99505095"
                           y3="4.18982"
                           yFract="0.49642417"
                           z3="6.39936"
                           zFract="0.2880"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21746"
                           xFract="0.49969905"
                           y3="2.11594"
                           yFract="0.25070379"
                           z3="4.21581"
                           zFract="0.18973042"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03574"
                           xFract="0.24120142"
                           y3="2.09886"
                           yFract="0.24868009"
                           z3="6.41628"
                           zFract="0.28876148"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35851"
                           xFract="0.75337796"
                           y3="4.20876"
                           yFract="0.49866825"
                           z3="4.25793"
                           zFract="0.19162601"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.31122"
                           xFract="0.51080806"
                           y3="6.31614"
                           yFract="0.74835782"
                           z3="8.49235"
                           zFract="0.38219397"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26345"
                           xFract="0.5051481"
                           y3="4.17599"
                           yFract="0.49478555"
                           z3="6.42192"
                           zFract="0.2890153"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15911"
                           xFract="0.25581872"
                           y3="0.00157"
                           yFract="0.00018602"
                           z3="8.44952"
                           zFract="0.38026643"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33353"
                           xFract="0.75041825"
                           y3="0.17343"
                           yFract="0.02054858"
                           z3="8.50207"
                           zFract="0.38263141"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27769"
                           xFract="0.98076896"
                           y3="2.04905"
                           yFract="0.24277844"
                           z3="6.22385"
                           zFract="0.28010126"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14845"
                           xFract="0.25455569"
                           y3="8.4313"
                           yFract="0.99896919"
                           z3="6.31542"
                           zFract="0.28422232"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00483"
                           xFract="-0.00057227"
                           y3="-0.00413"
                           yFract="-0.00048934"
                           z3="4.25521"
                           zFract="0.1915036"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38142"
                           xFract="0.99305924"
                           y3="0.14999"
                           yFract="0.01777133"
                           z3="8.41639"
                           zFract="0.37877543"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11215"
                           xFract="0.25025474"
                           y3="2.11407"
                           yFract="0.25048223"
                           z3="4.28189"
                           zFract="0.19270432"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96286"
                           xFract="0.23256635"
                           y3="2.03392"
                           yFract="0.24098578"
                           z3="8.53623"
                           zFract="0.38416877"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39596"
                           xFract="0.52084834"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="6.27515"
                           zFract="0.28240999"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33051"
                           xFract="0.75006043"
                           y3="8.35905"
                           yFract="0.99040877"
                           z3="6.31839"
                           zFract="0.28435599"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21055"
                           xFract="0.49888033"
                           y3="8.30954"
                           yFract="0.98454265"
                           z3="4.21174"
                           zFract="0.18954725"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31494"
                           xFract="0.51124882"
                           y3="0.00692"
                           yFract="0.00081991"
                           z3="8.47431"
                           zFract="0.38138209"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3011"
                           xFract="0.74657583"
                           y3="2.0734"
                           yFract="0.24566351"
                           z3="4.04858"
                           zFract="0.18220432"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.66753"
                           xFract="0.78999171"
                           y3="2.1935"
                           yFract="0.25989336"
                           z3="8.98671"
                           zFract="0.40444239"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41173"
                           xFract="0.99665047"
                           y3="6.46337"
                           yFract="0.76580213"
                           z3="6.41284"
                           zFract="0.28860666"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95006"
                           xFract="0.23104976"
                           y3="4.24394"
                           yFract="0.50283649"
                           z3="6.43968"
                           zFract="0.28981458"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01978"
                           xFract="0.0023436"
                           y3="4.20187"
                           yFract="0.4978519"
                           z3="4.12124"
                           zFract="0.18547435"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.29336"
                           xFract="0.03475829"
                           y3="3.98972"
                           yFract="0.47271564"
                           z3="9.34785"
                           zFract="0.42069532"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2016"
                           xFract="0.26085308"
                           y3="6.32386"
                           yFract="0.74927251"
                           z3="4.29068"
                           zFract="0.19309991"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04523"
                           xFract="0.24232583"
                           y3="6.37553"
                           yFract="0.75539455"
                           z3="8.4919"
                           zFract="0.38217372"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22686"
                           xFract="0.5008128"
                           y3="6.34266"
                           yFract="0.7515"
                           z3="6.29568"
                           zFract="0.28333393"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42816"
                           xFract="0.76163033"
                           y3="4.30293"
                           yFract="0.50982583"
                           z3="6.33356"
                           zFract="0.2850387"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19105"
                           xFract="0.49656991"
                           y3="4.37198"
                           yFract="0.51800711"
                           z3="4.29632"
                           zFract="0.19335374"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14385"
                           xFract="0.49097749"
                           y3="4.22338"
                           yFract="0.50040047"
                           z3="8.51915"
                           zFract="0.38340009"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19084"
                           xFract="0.73351185"
                           y3="6.36092"
                           yFract="0.75366351"
                           z3="4.23112"
                           zFract="0.19041944"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43071"
                           xFract="0.76193246"
                           y3="6.20409"
                           yFract="0.73508175"
                           z3="8.47263"
                           zFract="0.38130648"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.102">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.09945"
                           xFract="0.01178318"
                           y3="4.09079"
                           yFract="0.48469076"
                           z3="10.29732"
                           zFract="0.46342574"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0268"
                           xFract="-0.00317536"
                           y3="6.42466"
                           yFract="0.76121564"
                           z3="8.49707"
                           zFract="0.38240639"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33472"
                           xFract="0.75055924"
                           y3="0.00978"
                           yFract="0.00115877"
                           z3="4.24938"
                           zFract="0.19124122"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0816"
                           xFract="0.00966825"
                           y3="2.06015"
                           yFract="0.2440936"
                           z3="8.86928"
                           zFract="0.39915752"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35062"
                           xFract="0.75244313"
                           y3="6.3313"
                           yFract="0.75015403"
                           z3="6.38135"
                           zFract="0.28718947"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20237"
                           xFract="0.49791114"
                           y3="6.33688"
                           yFract="0.75081517"
                           z3="4.23473"
                           zFract="0.19058191"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4210"
                           xFract="0.99774882"
                           y3="0.05997"
                           yFract="0.00710545"
                           z3="6.36785"
                           zFract="0.28658191"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4152"
                           xFract="0.99706161"
                           y3="2.10385"
                           yFract="0.24927133"
                           z3="4.19548"
                           zFract="0.18881548"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13248"
                           xFract="0.25266351"
                           y3="4.18915"
                           yFract="0.49634479"
                           z3="8.50115"
                           zFract="0.38259001"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08949"
                           xFract="0.24756991"
                           y3="4.20853"
                           yFract="0.498641"
                           z3="4.26303"
                           zFract="0.19185554"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06661"
                           xFract="0.244859"
                           y3="6.34472"
                           yFract="0.75174408"
                           z3="6.38646"
                           zFract="0.28741944"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09199"
                           xFract="0.24786611"
                           y3="0.00665"
                           yFract="0.00078791"
                           z3="4.22297"
                           zFract="0.19005266"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2491"
                           xFract="0.50344787"
                           y3="0.0391"
                           yFract="0.0046327"
                           z3="6.32672"
                           zFract="0.28473087"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35557"
                           xFract="0.75302962"
                           y3="2.12307"
                           yFract="0.25154858"
                           z3="6.40285"
                           zFract="0.28815707"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.36998"
                           xFract="0.75473697"
                           y3="4.12115"
                           yFract="0.48828791"
                           z3="8.63671"
                           zFract="0.38869082"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27471"
                           xFract="0.50648223"
                           y3="2.14282"
                           yFract="0.25388863"
                           z3="8.57838"
                           zFract="0.38606571"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4222"
                           xFract="0.997891"
                           y3="6.31344"
                           yFract="0.74803791"
                           z3="4.26641"
                           zFract="0.19200765"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39823"
                           xFract="0.99505095"
                           y3="4.18944"
                           yFract="0.49637915"
                           z3="6.3997"
                           zFract="0.2880153"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21744"
                           xFract="0.49969668"
                           y3="2.11623"
                           yFract="0.25073815"
                           z3="4.2161"
                           zFract="0.18974347"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03554"
                           xFract="0.24117773"
                           y3="2.09913"
                           yFract="0.24871209"
                           z3="6.4167"
                           zFract="0.28878038"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35867"
                           xFract="0.75339692"
                           y3="4.20897"
                           yFract="0.49869313"
                           z3="4.25786"
                           zFract="0.19162286"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.31259"
                           xFract="0.51097038"
                           y3="6.31595"
                           yFract="0.74833531"
                           z3="8.49304"
                           zFract="0.38222502"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26353"
                           xFract="0.50515758"
                           y3="4.1762"
                           yFract="0.49481043"
                           z3="6.42238"
                           zFract="0.289036"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15949"
                           xFract="0.25586374"
                           y3="0.00121"
                           yFract="0.00014336"
                           z3="8.44945"
                           zFract="0.38026328"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33335"
                           xFract="0.75039692"
                           y3="0.17571"
                           yFract="0.02081872"
                           z3="8.50176"
                           zFract="0.38261746"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27796"
                           xFract="0.98080095"
                           y3="2.04877"
                           yFract="0.24274526"
                           z3="6.2236"
                           zFract="0.28009001"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1485"
                           xFract="0.25456161"
                           y3="8.43117"
                           yFract="0.99895379"
                           z3="6.31554"
                           zFract="0.28422772"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00477"
                           xFract="-0.00056517"
                           y3="-0.00366"
                           yFract="-0.00043365"
                           z3="4.25507"
                           zFract="0.1914973"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38055"
                           xFract="0.99295616"
                           y3="0.15018"
                           yFract="0.01779384"
                           z3="8.41635"
                           zFract="0.37877363"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11253"
                           xFract="0.25029976"
                           y3="2.11422"
                           yFract="0.2505"
                           z3="4.28255"
                           zFract="0.19273402"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96317"
                           xFract="0.23260308"
                           y3="2.03339"
                           yFract="0.24092299"
                           z3="8.53591"
                           zFract="0.38415437"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39623"
                           xFract="0.52088033"
                           y3="2.10937"
                           yFract="0.24992536"
                           z3="6.27568"
                           zFract="0.28243384"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33055"
                           xFract="0.75006517"
                           y3="8.35875"
                           yFract="0.99037322"
                           z3="6.31837"
                           zFract="0.28435509"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21036"
                           xFract="0.49885782"
                           y3="8.3095"
                           yFract="0.98453791"
                           z3="4.21182"
                           zFract="0.18955086"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31584"
                           xFract="0.51135545"
                           y3="0.00691"
                           yFract="0.00081872"
                           z3="8.47488"
                           zFract="0.38140774"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30048"
                           xFract="0.74650237"
                           y3="2.07347"
                           yFract="0.2456718"
                           z3="4.04858"
                           zFract="0.18220432"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.66866"
                           xFract="0.79012559"
                           y3="2.19435"
                           yFract="0.25999408"
                           z3="8.98842"
                           zFract="0.40451935"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41171"
                           xFract="0.9966481"
                           y3="6.46371"
                           yFract="0.76584242"
                           z3="6.41309"
                           zFract="0.28861791"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95014"
                           xFract="0.23105924"
                           y3="4.24451"
                           yFract="0.50290403"
                           z3="6.44001"
                           zFract="0.28982943"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01984"
                           xFract="0.00235071"
                           y3="4.2016"
                           yFract="0.49781991"
                           z3="4.12135"
                           zFract="0.1854793"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.29591"
                           xFract="0.03506043"
                           y3="3.98807"
                           yFract="0.47252014"
                           z3="9.34686"
                           zFract="0.42065077"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2011"
                           xFract="0.26079384"
                           y3="6.32404"
                           yFract="0.74929384"
                           z3="4.29084"
                           zFract="0.19310711"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04519"
                           xFract="0.24232109"
                           y3="6.37603"
                           yFract="0.75545379"
                           z3="8.49229"
                           zFract="0.38219127"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22708"
                           xFract="0.50083886"
                           y3="6.34288"
                           yFract="0.75152607"
                           z3="6.29566"
                           zFract="0.28333303"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42816"
                           xFract="0.76163033"
                           y3="4.30252"
                           yFract="0.50977725"
                           z3="6.33334"
                           zFract="0.2850288"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19108"
                           xFract="0.49657346"
                           y3="4.37261"
                           yFract="0.51808175"
                           z3="4.29653"
                           zFract="0.19336319"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14405"
                           xFract="0.49100118"
                           y3="4.22335"
                           yFract="0.50039692"
                           z3="8.51952"
                           zFract="0.38341674"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19114"
                           xFract="0.73354739"
                           y3="6.36109"
                           yFract="0.75368365"
                           z3="4.23093"
                           zFract="0.19041089"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43096"
                           xFract="0.76196209"
                           y3="6.20163"
                           yFract="0.73479028"
                           z3="8.47212"
                           zFract="0.38128353"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.103">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.09979"
                           xFract="0.01182346"
                           y3="4.09027"
                           yFract="0.48462915"
                           z3="10.29878"
                           zFract="0.46349145"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02694"
                           xFract="-0.00319194"
                           y3="6.42479"
                           yFract="0.76123104"
                           z3="8.49697"
                           zFract="0.38240189"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3346"
                           xFract="0.75054502"
                           y3="0.00984"
                           yFract="0.00116588"
                           z3="4.24933"
                           zFract="0.19123897"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.08195"
                           xFract="0.00970972"
                           y3="2.0602"
                           yFract="0.24409953"
                           z3="8.8696"
                           zFract="0.39917192"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35055"
                           xFract="0.75243483"
                           y3="6.33112"
                           yFract="0.7501327"
                           z3="6.38122"
                           zFract="0.28718362"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20255"
                           xFract="0.49793246"
                           y3="6.33688"
                           yFract="0.75081517"
                           z3="4.23479"
                           zFract="0.19058461"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42092"
                           xFract="0.99773934"
                           y3="0.06005"
                           yFract="0.00711493"
                           z3="6.36788"
                           zFract="0.28658326"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41515"
                           xFract="0.99705569"
                           y3="2.10388"
                           yFract="0.24927488"
                           z3="4.19551"
                           zFract="0.18881683"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13253"
                           xFract="0.25266943"
                           y3="4.18944"
                           yFract="0.49637915"
                           z3="8.50132"
                           zFract="0.38259766"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08951"
                           xFract="0.24757227"
                           y3="4.20861"
                           yFract="0.49865047"
                           z3="4.26314"
                           zFract="0.19186049"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06665"
                           xFract="0.24486374"
                           y3="6.34476"
                           yFract="0.75174882"
                           z3="6.38656"
                           zFract="0.28742394"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09201"
                           xFract="0.24786848"
                           y3="0.00672"
                           yFract="0.00079621"
                           z3="4.22302"
                           zFract="0.19005491"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24911"
                           xFract="0.50344905"
                           y3="0.03907"
                           yFract="0.00462915"
                           z3="6.32676"
                           zFract="0.28473267"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3555"
                           xFract="0.75302133"
                           y3="2.12304"
                           yFract="0.25154502"
                           z3="6.40286"
                           zFract="0.28815752"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3707"
                           xFract="0.75482227"
                           y3="4.12096"
                           yFract="0.4882654"
                           z3="8.63667"
                           zFract="0.38868902"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27456"
                           xFract="0.50646445"
                           y3="2.14303"
                           yFract="0.25391351"
                           z3="8.57843"
                           zFract="0.38606796"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42224"
                           xFract="0.99789573"
                           y3="6.31347"
                           yFract="0.74804147"
                           z3="4.26645"
                           zFract="0.19200945"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39824"
                           xFract="0.99505213"
                           y3="4.1893"
                           yFract="0.49636256"
                           z3="6.39983"
                           zFract="0.28802115"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21743"
                           xFract="0.4996955"
                           y3="2.11635"
                           yFract="0.25075237"
                           z3="4.21621"
                           zFract="0.18974842"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03547"
                           xFract="0.24116943"
                           y3="2.09923"
                           yFract="0.24872393"
                           z3="6.41686"
                           zFract="0.28878758"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35873"
                           xFract="0.75340403"
                           y3="4.20904"
                           yFract="0.49870142"
                           z3="4.25783"
                           zFract="0.19162151"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.31311"
                           xFract="0.51103199"
                           y3="6.31588"
                           yFract="0.74832701"
                           z3="8.4933"
                           zFract="0.38223672"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26356"
                           xFract="0.50516114"
                           y3="4.17628"
                           yFract="0.49481991"
                           z3="6.42255"
                           zFract="0.28904365"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15964"
                           xFract="0.25588152"
                           y3="0.00107"
                           yFract="0.00012678"
                           z3="8.44943"
                           zFract="0.38026238"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33329"
                           xFract="0.75038981"
                           y3="0.17659"
                           yFract="0.02092299"
                           z3="8.50164"
                           zFract="0.38261206"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27806"
                           xFract="0.9808128"
                           y3="2.04866"
                           yFract="0.24273223"
                           z3="6.22351"
                           zFract="0.28008596"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14852"
                           xFract="0.25456398"
                           y3="8.43112"
                           yFract="0.99894787"
                           z3="6.31559"
                           zFract="0.28422997"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00475"
                           xFract="-0.0005628"
                           y3="-0.00347"
                           yFract="-0.00041114"
                           z3="4.25501"
                           zFract="0.1914946"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.38021"
                           xFract="0.99291588"
                           y3="0.15025"
                           yFract="0.01780213"
                           z3="8.41633"
                           zFract="0.37877273"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11267"
                           xFract="0.25031635"
                           y3="2.11428"
                           yFract="0.25050711"
                           z3="4.28281"
                           zFract="0.19274572"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96329"
                           xFract="0.2326173"
                           y3="2.03318"
                           yFract="0.2408981"
                           z3="8.53579"
                           zFract="0.38414896"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39633"
                           xFract="0.52089218"
                           y3="2.10934"
                           yFract="0.2499218"
                           z3="6.27588"
                           zFract="0.28244284"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33056"
                           xFract="0.75006635"
                           y3="8.35863"
                           yFract="0.990359"
                           z3="6.31837"
                           zFract="0.28435509"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21029"
                           xFract="0.49884953"
                           y3="8.30948"
                           yFract="0.98453555"
                           z3="4.21185"
                           zFract="0.18955221"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31619"
                           xFract="0.51139692"
                           y3="0.00691"
                           yFract="0.00081872"
                           z3="8.4751"
                           zFract="0.38141764"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30024"
                           xFract="0.74647393"
                           y3="2.0735"
                           yFract="0.24567536"
                           z3="4.04858"
                           zFract="0.18220432"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6691"
                           xFract="0.79017773"
                           y3="2.19467"
                           yFract="0.26003199"
                           z3="8.98908"
                           zFract="0.40454905"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4117"
                           xFract="0.99664692"
                           y3="6.46383"
                           yFract="0.76585664"
                           z3="6.41319"
                           zFract="0.28862241"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95017"
                           xFract="0.2310628"
                           y3="4.24473"
                           yFract="0.50293009"
                           z3="6.44013"
                           zFract="0.28983483"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01986"
                           xFract="0.00235308"
                           y3="4.20149"
                           yFract="0.49780687"
                           z3="4.12139"
                           zFract="0.1854811"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.29689"
                           xFract="0.03517654"
                           y3="3.98743"
                           yFract="0.47244431"
                           z3="9.34648"
                           zFract="0.42063366"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2009"
                           xFract="0.26077014"
                           y3="6.32411"
                           yFract="0.74930213"
                           z3="4.2909"
                           zFract="0.19310981"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04517"
                           xFract="0.24231872"
                           y3="6.37622"
                           yFract="0.7554763"
                           z3="8.49244"
                           zFract="0.38219802"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22716"
                           xFract="0.50084834"
                           y3="6.34296"
                           yFract="0.75153555"
                           z3="6.29565"
                           zFract="0.28333258"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42816"
                           xFract="0.76163033"
                           y3="4.30236"
                           yFract="0.50975829"
                           z3="6.33326"
                           zFract="0.2850252"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1911"
                           xFract="0.49657583"
                           y3="4.37285"
                           yFract="0.51811019"
                           z3="4.29661"
                           zFract="0.19336679"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14412"
                           xFract="0.49100948"
                           y3="4.22333"
                           yFract="0.50039455"
                           z3="8.51966"
                           zFract="0.38342304"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19125"
                           xFract="0.73356043"
                           y3="6.36115"
                           yFract="0.75369076"
                           z3="4.23085"
                           zFract="0.19040729"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43106"
                           xFract="0.76197393"
                           y3="6.20068"
                           yFract="0.73467773"
                           z3="8.47192"
                           zFract="0.38127453"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.104">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.10126"
                           xFract="0.01199763"
                           y3="4.08867"
                           yFract="0.48443957"
                           z3="10.30039"
                           zFract="0.46356391"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02719"
                           xFract="-0.00322156"
                           y3="6.42513"
                           yFract="0.76127133"
                           z3="8.49667"
                           zFract="0.38238839"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3342"
                           xFract="0.75049763"
                           y3="0.01007"
                           yFract="0.00119313"
                           z3="4.24916"
                           zFract="0.19123132"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.08316"
                           xFract="0.00985308"
                           y3="2.06037"
                           yFract="0.24411967"
                           z3="8.87058"
                           zFract="0.39921602"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35028"
                           xFract="0.75240284"
                           y3="6.33066"
                           yFract="0.7500782"
                           z3="6.38108"
                           zFract="0.28717732"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20309"
                           xFract="0.49799645"
                           y3="6.33738"
                           yFract="0.75087441"
                           z3="4.23488"
                           zFract="0.19058866"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42072"
                           xFract="0.99771564"
                           y3="0.06052"
                           yFract="0.00717062"
                           z3="6.36817"
                           zFract="0.28659631"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41498"
                           xFract="0.99703555"
                           y3="2.10403"
                           yFract="0.24929265"
                           z3="4.19607"
                           zFract="0.18884203"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13259"
                           xFract="0.25267654"
                           y3="4.19015"
                           yFract="0.49646327"
                           z3="8.50177"
                           zFract="0.38261791"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08961"
                           xFract="0.24758412"
                           y3="4.2089"
                           yFract="0.49868483"
                           z3="4.26343"
                           zFract="0.19187354"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06688"
                           xFract="0.244891"
                           y3="6.34473"
                           yFract="0.75174526"
                           z3="6.38664"
                           zFract="0.28742754"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09222"
                           xFract="0.24789336"
                           y3="0.00692"
                           yFract="0.00081991"
                           z3="4.22344"
                           zFract="0.19007381"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2492"
                           xFract="0.50345972"
                           y3="0.0390"
                           yFract="0.00462085"
                           z3="6.3266"
                           zFract="0.28472547"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35516"
                           xFract="0.75298104"
                           y3="2.12297"
                           yFract="0.25153673"
                           z3="6.40274"
                           zFract="0.28815212"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.37248"
                           xFract="0.75503318"
                           y3="4.12052"
                           yFract="0.48821327"
                           z3="8.63654"
                           zFract="0.38868317"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27416"
                           xFract="0.50641706"
                           y3="2.14368"
                           yFract="0.25399052"
                           z3="8.57857"
                           zFract="0.38607426"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42235"
                           xFract="0.99790877"
                           y3="6.3136"
                           yFract="0.74805687"
                           z3="4.26651"
                           zFract="0.19201215"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39829"
                           xFract="0.99505806"
                           y3="4.18899"
                           yFract="0.49632583"
                           z3="6.4002"
                           zFract="0.2880378"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21734"
                           xFract="0.49968483"
                           y3="2.11646"
                           yFract="0.2507654"
                           z3="4.21634"
                           zFract="0.18975428"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03526"
                           xFract="0.24114455"
                           y3="2.09934"
                           yFract="0.24873697"
                           z3="6.41711"
                           zFract="0.28879883"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35879"
                           xFract="0.75341114"
                           y3="4.2092"
                           yFract="0.49872038"
                           z3="4.25775"
                           zFract="0.19161791"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.31447"
                           xFract="0.51119313"
                           y3="6.31566"
                           yFract="0.74830095"
                           z3="8.49386"
                           zFract="0.38226193"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26365"
                           xFract="0.5051718"
                           y3="4.17647"
                           yFract="0.49484242"
                           z3="6.42312"
                           zFract="0.28906931"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15982"
                           xFract="0.25590284"
                           y3="0.00057"
                           yFract="0.00006754"
                           z3="8.44954"
                           zFract="0.38026733"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33311"
                           xFract="0.75036848"
                           y3="0.17915"
                           yFract="0.0212263"
                           z3="8.50131"
                           zFract="0.38259721"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27825"
                           xFract="0.98083531"
                           y3="2.04824"
                           yFract="0.24268246"
                           z3="6.22286"
                           zFract="0.28005671"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1484"
                           xFract="0.25454976"
                           y3="8.43113"
                           yFract="0.99894905"
                           z3="6.31548"
                           zFract="0.28422502"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00446"
                           xFract="-0.00052844"
                           y3="-0.00322"
                           yFract="-0.00038152"
                           z3="4.25497"
                           zFract="0.1914928"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37948"
                           xFract="0.99282938"
                           y3="0.15015"
                           yFract="0.01779028"
                           z3="8.41613"
                           zFract="0.37876373"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11303"
                           xFract="0.250359"
                           y3="2.1143"
                           yFract="0.25050948"
                           z3="4.28337"
                           zFract="0.19277093"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9638"
                           xFract="0.23267773"
                           y3="2.03274"
                           yFract="0.24084597"
                           z3="8.53543"
                           zFract="0.38413276"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39673"
                           xFract="0.52093957"
                           y3="2.10931"
                           yFract="0.24991825"
                           z3="6.27658"
                           zFract="0.28247435"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33081"
                           xFract="0.75009597"
                           y3="8.3583"
                           yFract="0.99031991"
                           z3="6.3185"
                           zFract="0.28436094"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2100"
                           xFract="0.49881517"
                           y3="8.30932"
                           yFract="0.98451659"
                           z3="4.21179"
                           zFract="0.1895495"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31724"
                           xFract="0.51152133"
                           y3="0.00678"
                           yFract="0.00080332"
                           z3="8.47569"
                           zFract="0.38144419"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29979"
                           xFract="0.74642062"
                           y3="2.07356"
                           yFract="0.24568246"
                           z3="4.04852"
                           zFract="0.18220162"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6699"
                           xFract="0.79027251"
                           y3="2.19561"
                           yFract="0.26014336"
                           z3="8.99087"
                           zFract="0.40462961"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41162"
                           xFract="0.99663744"
                           y3="6.46415"
                           yFract="0.76589455"
                           z3="6.41333"
                           zFract="0.28862871"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95018"
                           xFract="0.23106398"
                           y3="4.24526"
                           yFract="0.50299289"
                           z3="6.44063"
                           zFract="0.28985734"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02002"
                           xFract="0.00237204"
                           y3="4.20124"
                           yFract="0.49777725"
                           z3="4.12139"
                           zFract="0.1854811"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.29914"
                           xFract="0.03544313"
                           y3="3.9859"
                           yFract="0.47226303"
                           z3="9.34768"
                           zFract="0.42068767"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20041"
                           xFract="0.26071209"
                           y3="6.32427"
                           yFract="0.74932109"
                           z3="4.29119"
                           zFract="0.19312286"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04499"
                           xFract="0.24229739"
                           y3="6.37691"
                           yFract="0.75555806"
                           z3="8.49281"
                           zFract="0.38221467"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22728"
                           xFract="0.50086256"
                           y3="6.34304"
                           yFract="0.75154502"
                           z3="6.29574"
                           zFract="0.28333663"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42835"
                           xFract="0.76165284"
                           y3="4.30197"
                           yFract="0.50971209"
                           z3="6.33297"
                           zFract="0.28501215"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19095"
                           xFract="0.49655806"
                           y3="4.3734"
                           yFract="0.51817536"
                           z3="4.29663"
                           zFract="0.19336769"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14434"
                           xFract="0.49103555"
                           y3="4.22322"
                           yFract="0.50038152"
                           z3="8.51993"
                           zFract="0.38343519"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19147"
                           xFract="0.73358649"
                           y3="6.36128"
                           yFract="0.75370616"
                           z3="4.23076"
                           zFract="0.19040324"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43142"
                           xFract="0.76201659"
                           y3="6.19822"
                           yFract="0.73438626"
                           z3="8.47152"
                           zFract="0.38125653"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.105">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.10565"
                           xFract="0.01251777"
                           y3="4.08386"
                           yFract="0.48386967"
                           z3="10.30522"
                           zFract="0.46378128"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02791"
                           xFract="-0.00330687"
                           y3="6.42615"
                           yFract="0.76139218"
                           z3="8.49578"
                           zFract="0.38234833"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33299"
                           xFract="0.75035427"
                           y3="0.01075"
                           yFract="0.0012737"
                           z3="4.24865"
                           zFract="0.19120837"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.08678"
                           xFract="0.01028199"
                           y3="2.06088"
                           yFract="0.24418009"
                           z3="8.87353"
                           zFract="0.39934878"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34949"
                           xFract="0.75230924"
                           y3="6.32927"
                           yFract="0.74991351"
                           z3="6.38067"
                           zFract="0.28715887"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20469"
                           xFract="0.49818602"
                           y3="6.33888"
                           yFract="0.75105213"
                           z3="4.23514"
                           zFract="0.19060036"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4201"
                           xFract="0.99764218"
                           y3="0.06194"
                           yFract="0.00733886"
                           z3="6.36904"
                           zFract="0.28663546"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41445"
                           xFract="0.99697275"
                           y3="2.10447"
                           yFract="0.24934479"
                           z3="4.19774"
                           zFract="0.18891719"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13275"
                           xFract="0.2526955"
                           y3="4.19229"
                           yFract="0.49671682"
                           z3="8.50314"
                           zFract="0.38267957"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0899"
                           xFract="0.24761848"
                           y3="4.20976"
                           yFract="0.49878673"
                           z3="4.26428"
                           zFract="0.19191179"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06759"
                           xFract="0.24497512"
                           y3="6.34461"
                           yFract="0.75173104"
                           z3="6.3869"
                           zFract="0.28743924"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09287"
                           xFract="0.24797038"
                           y3="0.00752"
                           yFract="0.000891"
                           z3="4.22472"
                           zFract="0.19013141"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.24949"
                           xFract="0.50349408"
                           y3="0.0388"
                           yFract="0.00459716"
                           z3="6.32613"
                           zFract="0.28470432"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35415"
                           xFract="0.75286137"
                           y3="2.12276"
                           yFract="0.25151185"
                           z3="6.4024"
                           zFract="0.28813681"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.37783"
                           xFract="0.75566706"
                           y3="4.1192"
                           yFract="0.48805687"
                           z3="8.63616"
                           zFract="0.38866607"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27298"
                           xFract="0.50627725"
                           y3="2.14562"
                           yFract="0.25422038"
                           z3="8.57899"
                           zFract="0.38609316"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42268"
                           xFract="0.99794787"
                           y3="6.31399"
                           yFract="0.74810308"
                           z3="4.26669"
                           zFract="0.19202025"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39843"
                           xFract="0.99507464"
                           y3="4.18806"
                           yFract="0.49621564"
                           z3="6.4013"
                           zFract="0.28808731"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21706"
                           xFract="0.49965166"
                           y3="2.11679"
                           yFract="0.2508045"
                           z3="4.21673"
                           zFract="0.18977183"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03463"
                           xFract="0.24106991"
                           y3="2.09965"
                           yFract="0.2487737"
                           z3="6.41788"
                           zFract="0.28883348"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35899"
                           xFract="0.75343483"
                           y3="4.20968"
                           yFract="0.49877725"
                           z3="4.25752"
                           zFract="0.19160756"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.31855"
                           xFract="0.51167654"
                           y3="6.3150"
                           yFract="0.74822275"
                           z3="8.49552"
                           zFract="0.38233663"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26389"
                           xFract="0.50520024"
                           y3="4.17704"
                           yFract="0.49490995"
                           z3="6.42481"
                           zFract="0.28914536"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16035"
                           xFract="0.25596564"
                           y3="-0.00094"
                           yFract="-0.00011137"
                           z3="8.44988"
                           zFract="0.38028263"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33258"
                           xFract="0.75030569"
                           y3="0.18682"
                           yFract="0.02213507"
                           z3="8.5003"
                           zFract="0.38255176"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27883"
                           xFract="0.98090403"
                           y3="2.04697"
                           yFract="0.24253199"
                           z3="6.22093"
                           zFract="0.27996985"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14803"
                           xFract="0.25450592"
                           y3="8.43116"
                           yFract="0.99895261"
                           z3="6.31514"
                           zFract="0.28420972"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00359"
                           xFract="-0.00042536"
                           y3="-0.00247"
                           yFract="-0.00029265"
                           z3="4.25485"
                           zFract="0.1914874"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37727"
                           xFract="0.99256754"
                           y3="0.14985"
                           yFract="0.01775474"
                           z3="8.41552"
                           zFract="0.37873627"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11408"
                           xFract="0.25048341"
                           y3="2.11437"
                           yFract="0.25051777"
                           z3="4.28505"
                           zFract="0.19284653"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96533"
                           xFract="0.232859"
                           y3="2.03143"
                           yFract="0.24069076"
                           z3="8.53436"
                           zFract="0.38408461"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39792"
                           xFract="0.52108057"
                           y3="2.1092"
                           yFract="0.24990521"
                           z3="6.27868"
                           zFract="0.28256886"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33154"
                           xFract="0.75018246"
                           y3="8.35728"
                           yFract="0.99019905"
                           z3="6.3189"
                           zFract="0.28437894"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20915"
                           xFract="0.49871445"
                           y3="8.30883"
                           yFract="0.98445853"
                           z3="4.21162"
                           zFract="0.18954185"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32038"
                           xFract="0.51189336"
                           y3="0.00641"
                           yFract="0.00075948"
                           z3="8.47749"
                           zFract="0.3815252"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29843"
                           xFract="0.74625948"
                           y3="2.07373"
                           yFract="0.24570261"
                           z3="4.04836"
                           zFract="0.18219442"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.67231"
                           xFract="0.79055806"
                           y3="2.19844"
                           yFract="0.26047867"
                           z3="8.99622"
                           zFract="0.40487039"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41139"
                           xFract="0.99661019"
                           y3="6.46509"
                           yFract="0.76600592"
                           z3="6.41374"
                           zFract="0.28864716"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9502"
                           xFract="0.23106635"
                           y3="4.24685"
                           yFract="0.50318128"
                           z3="6.4421"
                           zFract="0.28992349"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02049"
                           xFract="0.00242773"
                           y3="4.20048"
                           yFract="0.4976872"
                           z3="4.1214"
                           zFract="0.18548155"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.30591"
                           xFract="0.03624526"
                           y3="3.98131"
                           yFract="0.47171919"
                           z3="9.35129"
                           zFract="0.42085014"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19892"
                           xFract="0.26053555"
                           y3="6.32474"
                           yFract="0.74937678"
                           z3="4.29207"
                           zFract="0.19316247"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04444"
                           xFract="0.24223223"
                           y3="6.37898"
                           yFract="0.75580332"
                           z3="8.49391"
                           zFract="0.38226418"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22765"
                           xFract="0.5009064"
                           y3="6.34327"
                           yFract="0.75157227"
                           z3="6.29602"
                           zFract="0.28334923"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42894"
                           xFract="0.76172275"
                           y3="4.30077"
                           yFract="0.50956991"
                           z3="6.33209"
                           zFract="0.28497255"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19051"
                           xFract="0.49650592"
                           y3="4.37506"
                           yFract="0.51837204"
                           z3="4.29668"
                           zFract="0.19336994"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14498"
                           xFract="0.49111137"
                           y3="4.22286"
                           yFract="0.50033886"
                           z3="8.52072"
                           zFract="0.38347075"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19214"
                           xFract="0.73366588"
                           y3="6.36167"
                           yFract="0.75375237"
                           z3="4.2305"
                           zFract="0.19039154"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4325"
                           xFract="0.76214455"
                           y3="6.19083"
                           yFract="0.73351066"
                           z3="8.47033"
                           zFract="0.38120297"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.106">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.11443"
                           xFract="0.01355806"
                           y3="4.07426"
                           yFract="0.48273223"
                           z3="10.31488"
                           zFract="0.46421602"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02937"
                           xFract="-0.00347986"
                           y3="6.42819"
                           yFract="0.76163389"
                           z3="8.49399"
                           zFract="0.38226778"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33058"
                           xFract="0.75006872"
                           y3="0.01213"
                           yFract="0.0014372"
                           z3="4.24762"
                           zFract="0.19116202"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09403"
                           xFract="0.011141"
                           y3="2.0619"
                           yFract="0.24430095"
                           z3="8.87943"
                           zFract="0.39961431"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34791"
                           xFract="0.75212204"
                           y3="6.3265"
                           yFract="0.74958531"
                           z3="6.37985"
                           zFract="0.28712196"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2079"
                           xFract="0.49856635"
                           y3="6.34188"
                           yFract="0.75140758"
                           z3="4.23568"
                           zFract="0.19062466"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41887"
                           xFract="0.99749645"
                           y3="0.06477"
                           yFract="0.00767417"
                           z3="6.37077"
                           zFract="0.28671332"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4134"
                           xFract="0.99684834"
                           y3="2.10535"
                           yFract="0.24944905"
                           z3="4.20109"
                           zFract="0.18906796"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13308"
                           xFract="0.2527346"
                           y3="4.19658"
                           yFract="0.49722512"
                           z3="8.50587"
                           zFract="0.38280243"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09048"
                           xFract="0.2476872"
                           y3="4.21149"
                           yFract="0.49899171"
                           z3="4.26599"
                           zFract="0.19198875"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06901"
                           xFract="0.24514336"
                           y3="6.34438"
                           yFract="0.75170379"
                           z3="6.38741"
                           zFract="0.2874622"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09415"
                           xFract="0.24812204"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="4.22727"
                           zFract="0.19024617"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25007"
                           xFract="0.5035628"
                           y3="0.03839"
                           yFract="0.00454858"
                           z3="6.3252"
                           zFract="0.28466247"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35212"
                           xFract="0.75262085"
                           y3="2.12235"
                           yFract="0.25146327"
                           z3="6.40172"
                           zFract="0.28810621"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.38853"
                           xFract="0.75693483"
                           y3="4.11658"
                           yFract="0.48774645"
                           z3="8.63538"
                           zFract="0.38863096"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2706"
                           xFract="0.50599526"
                           y3="2.1495"
                           yFract="0.25468009"
                           z3="8.57984"
                           zFract="0.38613141"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42332"
                           xFract="0.9980237"
                           y3="6.31478"
                           yFract="0.74819668"
                           z3="4.26707"
                           zFract="0.19203735"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39873"
                           xFract="0.99511019"
                           y3="4.18621"
                           yFract="0.49599645"
                           z3="6.40351"
                           zFract="0.28818677"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21652"
                           xFract="0.49958768"
                           y3="2.11744"
                           yFract="0.25088152"
                           z3="4.21751"
                           zFract="0.18980693"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03336"
                           xFract="0.24091943"
                           y3="2.10027"
                           yFract="0.24884716"
                           z3="6.41942"
                           zFract="0.28890279"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35939"
                           xFract="0.75348223"
                           y3="4.21065"
                           yFract="0.49889218"
                           z3="4.25706"
                           zFract="0.19158686"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.32671"
                           xFract="0.51264336"
                           y3="6.31367"
                           yFract="0.74806517"
                           z3="8.49884"
                           zFract="0.38248605"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26437"
                           xFract="0.50525711"
                           y3="4.17819"
                           yFract="0.49504621"
                           z3="6.4282"
                           zFract="0.28929793"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16143"
                           xFract="0.2560936"
                           y3="-0.00396"
                           yFract="-0.00046919"
                           z3="8.45055"
                           zFract="0.38031278"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33151"
                           xFract="0.75017891"
                           y3="0.20217"
                           yFract="0.02395379"
                           z3="8.49829"
                           zFract="0.3824613"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2800"
                           xFract="0.98104265"
                           y3="2.04443"
                           yFract="0.24223104"
                           z3="6.21706"
                           zFract="0.27979568"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14729"
                           xFract="0.25441825"
                           y3="8.43124"
                           yFract="0.99896209"
                           z3="6.31446"
                           zFract="0.28417912"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00186"
                           xFract="-0.00022038"
                           y3="-0.00096"
                           yFract="-0.00011374"
                           z3="4.25461"
                           zFract="0.1914766"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37285"
                           xFract="0.99204384"
                           y3="0.14925"
                           yFract="0.01768365"
                           z3="8.4143"
                           zFract="0.37868137"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1162"
                           xFract="0.2507346"
                           y3="2.11451"
                           yFract="0.25053436"
                           z3="4.28842"
                           zFract="0.1929982"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96838"
                           xFract="0.23322038"
                           y3="2.0288"
                           yFract="0.24037915"
                           z3="8.53221"
                           zFract="0.38398785"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40029"
                           xFract="0.52136137"
                           y3="2.10898"
                           yFract="0.24987915"
                           z3="6.28288"
                           zFract="0.28275788"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33301"
                           xFract="0.75035664"
                           y3="8.35525"
                           yFract="0.98995853"
                           z3="6.31971"
                           zFract="0.28441539"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20745"
                           xFract="0.49851303"
                           y3="8.30785"
                           yFract="0.98434242"
                           z3="4.21129"
                           zFract="0.189527"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32666"
                           xFract="0.51263744"
                           y3="0.00567"
                           yFract="0.0006718"
                           z3="8.48107"
                           zFract="0.38168632"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29572"
                           xFract="0.74593839"
                           y3="2.07408"
                           yFract="0.24574408"
                           z3="4.04804"
                           zFract="0.18218002"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.67713"
                           xFract="0.79112915"
                           y3="2.20409"
                           yFract="0.2611481"
                           z3="9.00692"
                           zFract="0.40535194"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41093"
                           xFract="0.99655569"
                           y3="6.46698"
                           yFract="0.76622986"
                           z3="6.41456"
                           zFract="0.28868407"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95024"
                           xFract="0.23107109"
                           y3="4.25002"
                           yFract="0.50355687"
                           z3="6.44505"
                           zFract="0.29005626"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02144"
                           xFract="0.00254028"
                           y3="4.19896"
                           yFract="0.49750711"
                           z3="4.12141"
                           zFract="0.185482"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.31944"
                           xFract="0.03784834"
                           y3="3.97214"
                           yFract="0.4706327"
                           z3="9.35851"
                           zFract="0.42117507"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19594"
                           xFract="0.26018246"
                           y3="6.32568"
                           yFract="0.74948815"
                           z3="4.29383"
                           zFract="0.19324167"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04334"
                           xFract="0.2421019"
                           y3="6.38312"
                           yFract="0.75629384"
                           z3="8.49611"
                           zFract="0.38236319"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22837"
                           xFract="0.50099171"
                           y3="6.34373"
                           yFract="0.75162678"
                           z3="6.29657"
                           zFract="0.28337399"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43012"
                           xFract="0.76186256"
                           y3="4.29839"
                           yFract="0.50928791"
                           z3="6.33033"
                           zFract="0.28489334"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18962"
                           xFract="0.49640047"
                           y3="4.37838"
                           yFract="0.5187654"
                           z3="4.29679"
                           zFract="0.19337489"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14626"
                           xFract="0.49126303"
                           y3="4.22216"
                           yFract="0.50025592"
                           z3="8.52232"
                           zFract="0.38354275"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19347"
                           xFract="0.73382346"
                           y3="6.36243"
                           yFract="0.75384242"
                           z3="4.22998"
                           zFract="0.19036814"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43467"
                           xFract="0.76240166"
                           y3="6.17607"
                           yFract="0.73176185"
                           z3="8.46795"
                           zFract="0.38109586"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.107">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.11537"
                           xFract="0.01366943"
                           y3="4.07332"
                           yFract="0.48262085"
                           z3="10.31525"
                           zFract="0.46423267"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02952"
                           xFract="-0.00349763"
                           y3="6.42838"
                           yFract="0.7616564"
                           z3="8.49381"
                           zFract="0.38225968"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33041"
                           xFract="0.75004858"
                           y3="0.01225"
                           yFract="0.00145142"
                           z3="4.24754"
                           zFract="0.19115842"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0946"
                           xFract="0.01120853"
                           y3="2.06189"
                           yFract="0.24429976"
                           z3="8.87996"
                           zFract="0.39963816"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34783"
                           xFract="0.75211256"
                           y3="6.32626"
                           yFract="0.74955687"
                           z3="6.37981"
                           zFract="0.28712016"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20804"
                           xFract="0.49858294"
                           y3="6.34208"
                           yFract="0.75143128"
                           z3="4.23571"
                           zFract="0.19062601"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41877"
                           xFract="0.9974846"
                           y3="0.06495"
                           yFract="0.0076955"
                           z3="6.37088"
                           zFract="0.28671827"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41332"
                           xFract="0.99683886"
                           y3="2.10542"
                           yFract="0.24945735"
                           z3="4.20132"
                           zFract="0.18907831"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13319"
                           xFract="0.25274763"
                           y3="4.19698"
                           yFract="0.49727251"
                           z3="8.50609"
                           zFract="0.38281233"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09053"
                           xFract="0.24769313"
                           y3="4.21165"
                           yFract="0.49901066"
                           z3="4.26613"
                           zFract="0.19199505"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06912"
                           xFract="0.2451564"
                           y3="6.34438"
                           yFract="0.75170379"
                           z3="6.38745"
                           zFract="0.287464"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09424"
                           xFract="0.2481327"
                           y3="0.00882"
                           yFract="0.00104502"
                           z3="4.22749"
                           zFract="0.19025608"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25013"
                           xFract="0.50356991"
                           y3="0.03835"
                           yFract="0.00454384"
                           z3="6.32514"
                           zFract="0.28465977"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35205"
                           xFract="0.75261256"
                           y3="2.12232"
                           yFract="0.25145972"
                           z3="6.40163"
                           zFract="0.28810216"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3895"
                           xFract="0.75704976"
                           y3="4.11636"
                           yFract="0.48772038"
                           z3="8.63531"
                           zFract="0.38862781"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.27038"
                           xFract="0.50596919"
                           y3="2.14984"
                           yFract="0.25472038"
                           z3="8.57992"
                           zFract="0.38613501"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42339"
                           xFract="0.99803199"
                           y3="6.31486"
                           yFract="0.74820616"
                           z3="4.26711"
                           zFract="0.19203915"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39878"
                           xFract="0.99511611"
                           y3="4.18607"
                           yFract="0.49597986"
                           z3="6.40372"
                           zFract="0.28819622"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21646"
                           xFract="0.49958057"
                           y3="2.11751"
                           yFract="0.25088981"
                           z3="4.21758"
                           zFract="0.18981008"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03326"
                           xFract="0.24090758"
                           y3="2.10031"
                           yFract="0.2488519"
                           z3="6.41954"
                           zFract="0.28890819"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35941"
                           xFract="0.7534846"
                           y3="4.21072"
                           yFract="0.49890047"
                           z3="4.25701"
                           zFract="0.19158461"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.32747"
                           xFract="0.51273341"
                           y3="6.31356"
                           yFract="0.74805213"
                           z3="8.49913"
                           zFract="0.3824991"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26442"
                           xFract="0.50526303"
                           y3="4.17829"
                           yFract="0.49505806"
                           z3="6.42849"
                           zFract="0.28931098"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16152"
                           xFract="0.25610427"
                           y3="-0.00421"
                           yFract="-0.00049882"
                           z3="8.45062"
                           zFract="0.38031593"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33143"
                           xFract="0.75016943"
                           y3="0.20364"
                           yFract="0.02412796"
                           z3="8.49812"
                           zFract="0.38245365"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28001"
                           xFract="0.98104384"
                           y3="2.04422"
                           yFract="0.24220616"
                           z3="6.21678"
                           zFract="0.27978308"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14725"
                           xFract="0.25441351"
                           y3="8.43126"
                           yFract="0.99896445"
                           z3="6.31443"
                           zFract="0.28417777"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00172"
                           xFract="-0.00020379"
                           y3="-0.00085"
                           yFract="-0.00010071"
                           z3="4.2546"
                           zFract="0.19147615"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37246"
                           xFract="0.99199763"
                           y3="0.14921"
                           yFract="0.01767891"
                           z3="8.41421"
                           zFract="0.37867732"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1164"
                           xFract="0.25075829"
                           y3="2.11454"
                           yFract="0.25053791"
                           z3="4.28871"
                           zFract="0.19301125"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96873"
                           xFract="0.23326185"
                           y3="2.02852"
                           yFract="0.24034597"
                           z3="8.5320"
                           zFract="0.3839784"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40045"
                           xFract="0.52138033"
                           y3="2.10897"
                           yFract="0.24987796"
                           z3="6.28326"
                           zFract="0.28277498"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33311"
                           xFract="0.75036848"
                           y3="8.35507"
                           yFract="0.9899372"
                           z3="6.31977"
                           zFract="0.28441809"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20734"
                           xFract="0.4985"
                           y3="8.30779"
                           yFract="0.98433531"
                           z3="4.21126"
                           zFract="0.18952565"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32721"
                           xFract="0.51270261"
                           y3="0.00558"
                           yFract="0.00066114"
                           z3="8.48138"
                           zFract="0.38170027"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2955"
                           xFract="0.74591232"
                           y3="2.07411"
                           yFract="0.24574763"
                           z3="4.04801"
                           zFract="0.18217867"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.67762"
                           xFract="0.7911872"
                           y3="2.20461"
                           yFract="0.26120972"
                           z3="9.0079"
                           zFract="0.40539604"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41088"
                           xFract="0.99654976"
                           y3="6.46717"
                           yFract="0.76625237"
                           z3="6.41462"
                           zFract="0.28868677"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95024"
                           xFract="0.23107109"
                           y3="4.25027"
                           yFract="0.50358649"
                           z3="6.44534"
                           zFract="0.29006931"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02153"
                           xFract="0.00255095"
                           y3="4.19884"
                           yFract="0.49749289"
                           z3="4.12142"
                           zFract="0.18548245"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.32054"
                           xFract="0.03797867"
                           y3="3.97138"
                           yFract="0.47054265"
                           z3="9.3598"
                           zFract="0.42123312"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19573"
                           xFract="0.26015758"
                           y3="6.32577"
                           yFract="0.74949882"
                           z3="4.29399"
                           zFract="0.19324887"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04322"
                           xFract="0.24208768"
                           y3="6.38348"
                           yFract="0.75633649"
                           z3="8.49629"
                           zFract="0.38237129"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22843"
                           xFract="0.50099882"
                           y3="6.34377"
                           yFract="0.75163152"
                           z3="6.29663"
                           zFract="0.28337669"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43021"
                           xFract="0.76187322"
                           y3="4.29817"
                           yFract="0.50926185"
                           z3="6.33015"
                           zFract="0.28488524"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18957"
                           xFract="0.49639455"
                           y3="4.37867"
                           yFract="0.51879976"
                           z3="4.29681"
                           zFract="0.19337579"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14632"
                           xFract="0.49127014"
                           y3="4.22213"
                           yFract="0.50025237"
                           z3="8.52245"
                           zFract="0.3835486"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19362"
                           xFract="0.73384123"
                           y3="6.36252"
                           yFract="0.75385308"
                           z3="4.22994"
                           zFract="0.19036634"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4349"
                           xFract="0.76242891"
                           y3="6.17471"
                           yFract="0.73160071"
                           z3="8.46775"
                           zFract="0.38108686"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.108">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.11818"
                           xFract="0.01400237"
                           y3="4.07052"
                           yFract="0.4822891"
                           z3="10.31633"
                           zFract="0.46428128"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.02997"
                           xFract="-0.00355095"
                           y3="6.42896"
                           yFract="0.76172512"
                           z3="8.49328"
                           zFract="0.38223582"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32991"
                           xFract="0.74998934"
                           y3="0.01262"
                           yFract="0.00149526"
                           z3="4.24731"
                           zFract="0.19114806"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09632"
                           xFract="0.01141232"
                           y3="2.06188"
                           yFract="0.24429858"
                           z3="8.88154"
                           zFract="0.39970927"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34761"
                           xFract="0.75208649"
                           y3="6.32556"
                           yFract="0.74947393"
                           z3="6.3797"
                           zFract="0.28711521"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20846"
                           xFract="0.4986327"
                           y3="6.3427"
                           yFract="0.75150474"
                           z3="4.2358"
                           zFract="0.19063006"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41848"
                           xFract="0.99745024"
                           y3="0.06549"
                           yFract="0.00775948"
                           z3="6.37121"
                           zFract="0.28673312"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41308"
                           xFract="0.99681043"
                           y3="2.10565"
                           yFract="0.2494846"
                           z3="4.20202"
                           zFract="0.18910981"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13353"
                           xFract="0.25278791"
                           y3="4.19817"
                           yFract="0.49741351"
                           z3="8.50676"
                           zFract="0.38284248"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09068"
                           xFract="0.2477109"
                           y3="4.21212"
                           yFract="0.49906635"
                           z3="4.26657"
                           zFract="0.19201485"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06946"
                           xFract="0.24519668"
                           y3="6.34436"
                           yFract="0.75170142"
                           z3="6.38756"
                           zFract="0.28746895"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09451"
                           xFract="0.24816469"
                           y3="0.00909"
                           yFract="0.00107701"
                           z3="4.22813"
                           zFract="0.19028488"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25031"
                           xFract="0.50359123"
                           y3="0.03824"
                           yFract="0.00453081"
                           z3="6.32496"
                           zFract="0.28465167"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35182"
                           xFract="0.75258531"
                           y3="2.12224"
                           yFract="0.25145024"
                           z3="6.40137"
                           zFract="0.28809046"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3924"
                           xFract="0.75739336"
                           y3="4.11571"
                           yFract="0.48764336"
                           z3="8.63511"
                           zFract="0.38861881"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26972"
                           xFract="0.505891"
                           y3="2.15085"
                           yFract="0.25484005"
                           z3="8.58017"
                           zFract="0.38614626"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42358"
                           xFract="0.9980545"
                           y3="6.3151"
                           yFract="0.7482346"
                           z3="4.26723"
                           zFract="0.19204455"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3989"
                           xFract="0.99513033"
                           y3="4.18564"
                           yFract="0.49592891"
                           z3="6.40433"
                           zFract="0.28822367"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21628"
                           xFract="0.49955924"
                           y3="2.1177"
                           yFract="0.25091232"
                           z3="4.2178"
                           zFract="0.18981998"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03295"
                           xFract="0.24087085"
                           y3="2.10045"
                           yFract="0.24886848"
                           z3="6.4199"
                           zFract="0.28892439"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35948"
                           xFract="0.75349289"
                           y3="4.21095"
                           yFract="0.49892773"
                           z3="4.25686"
                           zFract="0.19157786"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.32974"
                           xFract="0.51300237"
                           y3="6.31322"
                           yFract="0.74801185"
                           z3="8.49999"
                           zFract="0.3825378"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26455"
                           xFract="0.50527844"
                           y3="4.17856"
                           yFract="0.49509005"
                           z3="6.42936"
                           zFract="0.28935014"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16182"
                           xFract="0.25613981"
                           y3="-0.00498"
                           yFract="-0.00059005"
                           z3="8.45083"
                           zFract="0.38032538"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3312"
                           xFract="0.75014218"
                           y3="0.20805"
                           yFract="0.02465047"
                           z3="8.4976"
                           zFract="0.38243024"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28005"
                           xFract="0.98104858"
                           y3="2.0436"
                           yFract="0.2421327"
                           z3="6.21596"
                           zFract="0.27974617"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14712"
                           xFract="0.2543981"
                           y3="8.43132"
                           yFract="0.99897156"
                           z3="6.31435"
                           zFract="0.28417417"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00133"
                           xFract="-0.00015758"
                           y3="-0.00051"
                           yFract="-0.00006043"
                           z3="4.25457"
                           zFract="0.1914748"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37132"
                           xFract="0.99186256"
                           y3="0.14912"
                           yFract="0.01766825"
                           z3="8.41395"
                           zFract="0.37866562"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11699"
                           xFract="0.2508282"
                           y3="2.11463"
                           yFract="0.25054858"
                           z3="4.2896"
                           zFract="0.19305131"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.96978"
                           xFract="0.23338626"
                           y3="2.02769"
                           yFract="0.24024763"
                           z3="8.53139"
                           zFract="0.38395095"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40093"
                           xFract="0.5214372"
                           y3="2.10894"
                           yFract="0.24987441"
                           z3="6.28438"
                           zFract="0.28282538"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3334"
                           xFract="0.75040284"
                           y3="8.35453"
                           yFract="0.98987322"
                           z3="6.31996"
                           zFract="0.28442664"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20699"
                           xFract="0.49845853"
                           y3="8.30759"
                           yFract="0.98431161"
                           z3="4.21117"
                           zFract="0.1895216"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32887"
                           xFract="0.51289929"
                           y3="0.00532"
                           yFract="0.00063033"
                           z3="8.48229"
                           zFract="0.38174122"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29482"
                           xFract="0.74583175"
                           y3="2.07419"
                           yFract="0.24575711"
                           z3="4.04792"
                           zFract="0.18217462"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.67909"
                           xFract="0.79136137"
                           y3="2.20617"
                           yFract="0.26139455"
                           z3="9.01084"
                           zFract="0.40552835"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41073"
                           xFract="0.99653199"
                           y3="6.46773"
                           yFract="0.76631872"
                           z3="6.41479"
                           zFract="0.28869442"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95024"
                           xFract="0.23107109"
                           y3="4.25103"
                           yFract="0.50367654"
                           z3="6.44619"
                           zFract="0.29010756"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02179"
                           xFract="0.00258175"
                           y3="4.19847"
                           yFract="0.49744905"
                           z3="4.12144"
                           zFract="0.18548335"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.32385"
                           xFract="0.03837085"
                           y3="3.96909"
                           yFract="0.47027133"
                           z3="9.36367"
                           zFract="0.42140729"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19509"
                           xFract="0.26008175"
                           y3="6.32603"
                           yFract="0.74952962"
                           z3="4.29445"
                           zFract="0.19326958"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04289"
                           xFract="0.24204858"
                           y3="6.38458"
                           yFract="0.75646682"
                           z3="8.49685"
                           zFract="0.38239649"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2286"
                           xFract="0.50101896"
                           y3="6.34388"
                           yFract="0.75164455"
                           z3="6.29682"
                           zFract="0.28338524"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43049"
                           xFract="0.7619064"
                           y3="4.29751"
                           yFract="0.50918365"
                           z3="6.3296"
                           zFract="0.28486049"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18939"
                           xFract="0.49637322"
                           y3="4.37955"
                           yFract="0.51890403"
                           z3="4.29686"
                           zFract="0.19337804"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1465"
                           xFract="0.49129147"
                           y3="4.22202"
                           yFract="0.50023934"
                           z3="8.52286"
                           zFract="0.38356706"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19406"
                           xFract="0.73389336"
                           y3="6.36276"
                           yFract="0.75388152"
                           z3="4.22984"
                           zFract="0.19036184"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43561"
                           xFract="0.76251303"
                           y3="6.17063"
                           yFract="0.7311173"
                           z3="8.46714"
                           zFract="0.38105941"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.109">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1238"
                           xFract="0.01466825"
                           y3="4.06492"
                           yFract="0.48162559"
                           z3="10.3185"
                           zFract="0.46437894"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03088"
                           xFract="-0.00365877"
                           y3="6.43013"
                           yFract="0.76186374"
                           z3="8.49222"
                           zFract="0.38218812"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3289"
                           xFract="0.74986967"
                           y3="0.01337"
                           yFract="0.00158412"
                           z3="4.24685"
                           zFract="0.19112736"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09976"
                           xFract="0.01181991"
                           y3="2.06185"
                           yFract="0.24429502"
                           z3="8.88472"
                           zFract="0.39985239"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34717"
                           xFract="0.75203436"
                           y3="6.32417"
                           yFract="0.74930924"
                           z3="6.37948"
                           zFract="0.28710531"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2093"
                           xFract="0.49873223"
                           y3="6.34393"
                           yFract="0.75165047"
                           z3="4.23598"
                           zFract="0.19063816"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41788"
                           xFract="0.99737915"
                           y3="0.06656"
                           yFract="0.00788626"
                           z3="6.37188"
                           zFract="0.28676328"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41261"
                           xFract="0.99675474"
                           y3="2.1061"
                           yFract="0.24953791"
                           z3="4.2034"
                           zFract="0.18917192"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13421"
                           xFract="0.25286848"
                           y3="4.20056"
                           yFract="0.49769668"
                           z3="8.50809"
                           zFract="0.38290234"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09098"
                           xFract="0.24774645"
                           y3="4.21307"
                           yFract="0.49917891"
                           z3="4.26743"
                           zFract="0.19205356"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07013"
                           xFract="0.24527607"
                           y3="6.34432"
                           yFract="0.75169668"
                           z3="6.3878"
                           zFract="0.28747975"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09505"
                           xFract="0.24822867"
                           y3="0.00964"
                           yFract="0.00114218"
                           z3="4.22942"
                           zFract="0.19034293"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25066"
                           xFract="0.5036327"
                           y3="0.03802"
                           yFract="0.00450474"
                           z3="6.3246"
                           zFract="0.28463546"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35137"
                           xFract="0.75253199"
                           y3="2.12206"
                           yFract="0.25142891"
                           z3="6.40084"
                           zFract="0.28806661"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.39821"
                           xFract="0.75808175"
                           y3="4.1144"
                           yFract="0.48748815"
                           z3="8.6347"
                           zFract="0.38860036"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26841"
                           xFract="0.50573578"
                           y3="2.15287"
                           yFract="0.25507938"
                           z3="8.58067"
                           zFract="0.38616877"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42396"
                           xFract="0.99809953"
                           y3="6.31558"
                           yFract="0.74829147"
                           z3="4.26748"
                           zFract="0.19205581"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39915"
                           xFract="0.99515995"
                           y3="4.18479"
                           yFract="0.4958282"
                           z3="6.40555"
                           zFract="0.28827858"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21593"
                           xFract="0.49951777"
                           y3="2.11808"
                           yFract="0.25095735"
                           z3="4.21823"
                           zFract="0.18983933"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03233"
                           xFract="0.24079739"
                           y3="2.10072"
                           yFract="0.24890047"
                           z3="6.42063"
                           zFract="0.28895725"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35962"
                           xFract="0.75350948"
                           y3="4.21142"
                           yFract="0.49898341"
                           z3="4.25656"
                           zFract="0.19156436"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.33429"
                           xFract="0.51354147"
                           y3="6.31253"
                           yFract="0.74793009"
                           z3="8.50172"
                           zFract="0.38261566"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26481"
                           xFract="0.50530924"
                           y3="4.17912"
                           yFract="0.4951564"
                           z3="6.43111"
                           zFract="0.28942889"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16241"
                           xFract="0.25620972"
                           y3="-0.00651"
                           yFract="-0.00077133"
                           z3="8.45125"
                           zFract="0.38034428"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33073"
                           xFract="0.75008649"
                           y3="0.21688"
                           yFract="0.02569668"
                           z3="8.49656"
                           zFract="0.38238344"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28014"
                           xFract="0.98105924"
                           y3="2.04236"
                           yFract="0.24198578"
                           z3="6.2143"
                           zFract="0.27967147"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14688"
                           xFract="0.25436967"
                           y3="8.43145"
                           yFract="0.99898697"
                           z3="6.31418"
                           zFract="0.28416652"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00055"
                           xFract="-0.00006517"
                           y3="0.00016"
                           yFract="0.00001896"
                           z3="4.2545"
                           zFract="0.19147165"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36903"
                           xFract="0.99159123"
                           y3="0.14892"
                           yFract="0.01764455"
                           z3="8.41342"
                           zFract="0.37864176"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11819"
                           xFract="0.25097038"
                           y3="2.11481"
                           yFract="0.25056991"
                           z3="4.29137"
                           zFract="0.19313096"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97188"
                           xFract="0.23363507"
                           y3="2.02603"
                           yFract="0.24005095"
                           z3="8.53017"
                           zFract="0.38389604"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40189"
                           xFract="0.52155095"
                           y3="2.10889"
                           yFract="0.24986848"
                           z3="6.28661"
                           zFract="0.28292574"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33398"
                           xFract="0.75047156"
                           y3="8.35346"
                           yFract="0.98974645"
                           z3="6.32034"
                           zFract="0.28444374"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2063"
                           xFract="0.49837678"
                           y3="8.3072"
                           yFract="0.9842654"
                           z3="4.2110"
                           zFract="0.18951395"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33218"
                           xFract="0.51329147"
                           y3="0.00479"
                           yFract="0.00056754"
                           z3="8.48413"
                           zFract="0.38182403"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29347"
                           xFract="0.7456718"
                           y3="2.07436"
                           yFract="0.24577725"
                           z3="4.04774"
                           zFract="0.18216652"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.68203"
                           xFract="0.79170972"
                           y3="2.20928"
                           yFract="0.26176303"
                           z3="9.01673"
                           zFract="0.40579343"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41044"
                           xFract="0.99649763"
                           y3="6.46885"
                           yFract="0.76645142"
                           z3="6.41512"
                           zFract="0.28870927"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95026"
                           xFract="0.23107346"
                           y3="4.25255"
                           yFract="0.50385664"
                           z3="6.44789"
                           zFract="0.29018407"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0223"
                           xFract="0.00264218"
                           y3="4.19775"
                           yFract="0.49736374"
                           z3="4.12149"
                           zFract="0.1854856"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.33046"
                           xFract="0.03915403"
                           y3="3.96451"
                           yFract="0.46972867"
                           z3="9.3714"
                           zFract="0.42175518"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19381"
                           xFract="0.25993009"
                           y3="6.32656"
                           yFract="0.74959242"
                           z3="4.29538"
                           zFract="0.19331143"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04221"
                           xFract="0.24196801"
                           y3="6.38677"
                           yFract="0.7567263"
                           z3="8.49797"
                           zFract="0.38244689"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22893"
                           xFract="0.50105806"
                           y3="6.3441"
                           yFract="0.75167062"
                           z3="6.2972"
                           zFract="0.28340234"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43104"
                           xFract="0.76197156"
                           y3="4.2962"
                           yFract="0.50902844"
                           z3="6.32851"
                           zFract="0.28481143"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18904"
                           xFract="0.49633175"
                           y3="4.3813"
                           yFract="0.51911137"
                           z3="4.29695"
                           zFract="0.19338209"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14686"
                           xFract="0.49133412"
                           y3="4.22181"
                           yFract="0.50021445"
                           z3="8.52367"
                           zFract="0.38360351"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19496"
                           xFract="0.7340"
                           y3="6.36324"
                           yFract="0.75393839"
                           z3="4.22964"
                           zFract="0.19035284"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43701"
                           xFract="0.76267891"
                           y3="6.16248"
                           yFract="0.73015166"
                           z3="8.46592"
                           zFract="0.3810045"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.110">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.12515"
                           xFract="0.0148282"
                           y3="4.06357"
                           yFract="0.48146564"
                           z3="10.31902"
                           zFract="0.46440234"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0311"
                           xFract="-0.00368483"
                           y3="6.43041"
                           yFract="0.76189692"
                           z3="8.49196"
                           zFract="0.38217642"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32866"
                           xFract="0.74984123"
                           y3="0.01355"
                           yFract="0.00160545"
                           z3="4.24674"
                           zFract="0.19112241"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.10059"
                           xFract="0.01191825"
                           y3="2.06184"
                           yFract="0.24429384"
                           z3="8.88548"
                           zFract="0.39988659"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34706"
                           xFract="0.75202133"
                           y3="6.32383"
                           yFract="0.74926896"
                           z3="6.37943"
                           zFract="0.28710306"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2095"
                           xFract="0.49875592"
                           y3="6.34423"
                           yFract="0.75168602"
                           z3="4.23602"
                           zFract="0.19063996"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41774"
                           xFract="0.99736256"
                           y3="0.06682"
                           yFract="0.00791706"
                           z3="6.37204"
                           zFract="0.28677048"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41249"
                           xFract="0.99674052"
                           y3="2.1062"
                           yFract="0.24954976"
                           z3="4.20374"
                           zFract="0.18918722"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13437"
                           xFract="0.25288744"
                           y3="4.20113"
                           yFract="0.49776422"
                           z3="8.50841"
                           zFract="0.38291674"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09105"
                           xFract="0.24775474"
                           y3="4.2133"
                           yFract="0.49920616"
                           z3="4.26764"
                           zFract="0.19206301"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07029"
                           xFract="0.24529502"
                           y3="6.34431"
                           yFract="0.7516955"
                           z3="6.38785"
                           zFract="0.287482"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09518"
                           xFract="0.24824408"
                           y3="0.00978"
                           yFract="0.00115877"
                           z3="4.22973"
                           zFract="0.19035689"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25075"
                           xFract="0.50364336"
                           y3="0.03797"
                           yFract="0.00449882"
                           z3="6.32452"
                           zFract="0.28463186"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35127"
                           xFract="0.75252014"
                           y3="2.12202"
                           yFract="0.25142417"
                           z3="6.40071"
                           zFract="0.28806076"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3996"
                           xFract="0.75824645"
                           y3="4.11409"
                           yFract="0.48745142"
                           z3="8.6346"
                           zFract="0.38859586"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26809"
                           xFract="0.50569787"
                           y3="2.15336"
                           yFract="0.25513744"
                           z3="8.58078"
                           zFract="0.38617372"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42405"
                           xFract="0.99811019"
                           y3="6.31569"
                           yFract="0.7483045"
                           z3="4.26754"
                           zFract="0.19205851"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39921"
                           xFract="0.99516706"
                           y3="4.18459"
                           yFract="0.4958045"
                           z3="6.40584"
                           zFract="0.28829163"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21585"
                           xFract="0.49950829"
                           y3="2.11817"
                           yFract="0.25096801"
                           z3="4.21834"
                           zFract="0.18984428"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03218"
                           xFract="0.24077962"
                           y3="2.10078"
                           yFract="0.24890758"
                           z3="6.42081"
                           zFract="0.28896535"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35966"
                           xFract="0.75351422"
                           y3="4.21153"
                           yFract="0.49899645"
                           z3="4.25649"
                           zFract="0.19156121"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.33538"
                           xFract="0.51367062"
                           y3="6.31237"
                           yFract="0.74791114"
                           z3="8.50213"
                           zFract="0.38263411"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26487"
                           xFract="0.50531635"
                           y3="4.17925"
                           yFract="0.4951718"
                           z3="6.43153"
                           zFract="0.28944779"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16256"
                           xFract="0.25622749"
                           y3="-0.00688"
                           yFract="-0.00081517"
                           z3="8.45135"
                           zFract="0.38034878"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33062"
                           xFract="0.75007346"
                           y3="0.2190"
                           yFract="0.02594787"
                           z3="8.49631"
                           zFract="0.38237219"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28016"
                           xFract="0.98106161"
                           y3="2.04206"
                           yFract="0.24195024"
                           z3="6.21391"
                           zFract="0.27965392"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14682"
                           xFract="0.25436256"
                           y3="8.43148"
                           yFract="0.99899052"
                           z3="6.31414"
                           zFract="0.28416472"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00036"
                           xFract="-0.00004265"
                           y3="0.00032"
                           yFract="0.00003791"
                           z3="4.25449"
                           zFract="0.1914712"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36848"
                           xFract="0.99152607"
                           y3="0.14887"
                           yFract="0.01763863"
                           z3="8.4133"
                           zFract="0.37863636"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11847"
                           xFract="0.25100355"
                           y3="2.11485"
                           yFract="0.25057464"
                           z3="4.29179"
                           zFract="0.19314986"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97239"
                           xFract="0.2336955"
                           y3="2.02563"
                           yFract="0.24000355"
                           z3="8.52988"
                           zFract="0.38388299"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40212"
                           xFract="0.5215782"
                           y3="2.10888"
                           yFract="0.2498673"
                           z3="6.28715"
                           zFract="0.28295005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33412"
                           xFract="0.75048815"
                           y3="8.3532"
                           yFract="0.98971564"
                           z3="6.32043"
                           zFract="0.28444779"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20613"
                           xFract="0.49835664"
                           y3="8.30711"
                           yFract="0.98425474"
                           z3="4.21096"
                           zFract="0.18951215"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33298"
                           xFract="0.51338626"
                           y3="0.00466"
                           yFract="0.00055213"
                           z3="8.48457"
                           zFract="0.38184383"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29314"
                           xFract="0.7456327"
                           y3="2.0744"
                           yFract="0.24578199"
                           z3="4.0477"
                           zFract="0.18216472"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.68273"
                           xFract="0.79179265"
                           y3="2.21003"
                           yFract="0.2618519"
                           z3="9.01815"
                           zFract="0.40585734"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41036"
                           xFract="0.99648815"
                           y3="6.46912"
                           yFract="0.76648341"
                           z3="6.4152"
                           zFract="0.28871287"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95026"
                           xFract="0.23107346"
                           y3="4.25291"
                           yFract="0.50389929"
                           z3="6.44829"
                           zFract="0.29020207"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02242"
                           xFract="0.0026564"
                           y3="4.19757"
                           yFract="0.49734242"
                           z3="4.1215"
                           zFract="0.18548605"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.33205"
                           xFract="0.03934242"
                           y3="3.96341"
                           yFract="0.46959834"
                           z3="9.37326"
                           zFract="0.42183888"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19351"
                           xFract="0.25989455"
                           y3="6.32668"
                           yFract="0.74960664"
                           z3="4.29561"
                           zFract="0.19332178"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04204"
                           xFract="0.24194787"
                           y3="6.3873"
                           yFract="0.7567891"
                           z3="8.49824"
                           zFract="0.38245905"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22901"
                           xFract="0.50106754"
                           y3="6.34415"
                           yFract="0.75167654"
                           z3="6.29729"
                           zFract="0.28340639"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43118"
                           xFract="0.76198815"
                           y3="4.29588"
                           yFract="0.50899052"
                           z3="6.32824"
                           zFract="0.28479928"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18896"
                           xFract="0.49632227"
                           y3="4.38172"
                           yFract="0.51916114"
                           z3="4.29697"
                           zFract="0.19338299"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14695"
                           xFract="0.49134479"
                           y3="4.22176"
                           yFract="0.50020853"
                           z3="8.52386"
                           zFract="0.38361206"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19517"
                           xFract="0.73402488"
                           y3="6.36336"
                           yFract="0.75395261"
                           z3="4.22959"
                           zFract="0.19035059"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43735"
                           xFract="0.76271919"
                           y3="6.16053"
                           yFract="0.72992062"
                           z3="8.46563"
                           zFract="0.38099145"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.111">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.12552"
                           xFract="0.01487204"
                           y3="4.06324"
                           yFract="0.48142654"
                           z3="10.31937"
                           zFract="0.46441809"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03125"
                           xFract="-0.00370261"
                           y3="6.4305"
                           yFract="0.76190758"
                           z3="8.49185"
                           zFract="0.38217147"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32884"
                           xFract="0.74986256"
                           y3="0.01355"
                           yFract="0.00160545"
                           z3="4.2468"
                           zFract="0.19112511"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.10038"
                           xFract="0.01189336"
                           y3="2.06146"
                           yFract="0.24424882"
                           z3="8.88564"
                           zFract="0.39989379"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34734"
                           xFract="0.7520545"
                           y3="6.32384"
                           yFract="0.74927014"
                           z3="6.37955"
                           zFract="0.28710846"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20895"
                           xFract="0.49869076"
                           y3="6.34397"
                           yFract="0.75165521"
                           z3="4.23597"
                           zFract="0.19063771"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41777"
                           xFract="0.99736611"
                           y3="0.06651"
                           yFract="0.00788033"
                           z3="6.37183"
                           zFract="0.28676103"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41255"
                           xFract="0.99674763"
                           y3="2.10619"
                           yFract="0.24954858"
                           z3="4.20341"
                           zFract="0.18917237"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13467"
                           xFract="0.25292299"
                           y3="4.20129"
                           yFract="0.49778318"
                           z3="8.50842"
                           zFract="0.38291719"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09104"
                           xFract="0.24775355"
                           y3="4.21334"
                           yFract="0.4992109"
                           z3="4.26763"
                           zFract="0.19206256"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07024"
                           xFract="0.2452891"
                           y3="6.34439"
                           yFract="0.75170498"
                           z3="6.38788"
                           zFract="0.28748335"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09506"
                           xFract="0.24822986"
                           y3="0.00974"
                           yFract="0.00115403"
                           z3="4.22968"
                           zFract="0.19035464"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25079"
                           xFract="0.5036481"
                           y3="0.03796"
                           yFract="0.00449763"
                           z3="6.32465"
                           zFract="0.28463771"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35168"
                           xFract="0.75256872"
                           y3="2.12205"
                           yFract="0.25142773"
                           z3="6.40058"
                           zFract="0.28805491"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.39996"
                           xFract="0.7582891"
                           y3="4.11408"
                           yFract="0.48745024"
                           z3="8.6346"
                           zFract="0.38859586"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26799"
                           xFract="0.50568602"
                           y3="2.15337"
                           yFract="0.25513863"
                           z3="8.58083"
                           zFract="0.38617597"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42408"
                           xFract="0.99811374"
                           y3="6.31574"
                           yFract="0.74831043"
                           z3="4.26758"
                           zFract="0.19206031"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39928"
                           xFract="0.99517536"
                           y3="4.18465"
                           yFract="0.49581161"
                           z3="6.40592"
                           zFract="0.28829523"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21581"
                           xFract="0.49950355"
                           y3="2.11823"
                           yFract="0.25097512"
                           z3="4.21839"
                           zFract="0.18984653"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0322"
                           xFract="0.24078199"
                           y3="2.10077"
                           yFract="0.2489064"
                           z3="6.4208"
                           zFract="0.2889649"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35962"
                           xFract="0.75350948"
                           y3="4.21152"
                           yFract="0.49899526"
                           z3="4.25643"
                           zFract="0.19155851"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.3357"
                           xFract="0.51370853"
                           y3="6.31237"
                           yFract="0.74791114"
                           z3="8.50218"
                           zFract="0.38263636"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26489"
                           xFract="0.50531872"
                           y3="4.17922"
                           yFract="0.49516825"
                           z3="6.43155"
                           zFract="0.28944869"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16263"
                           xFract="0.25623578"
                           y3="-0.00686"
                           yFract="-0.0008128"
                           z3="8.4514"
                           zFract="0.38035104"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33066"
                           xFract="0.7500782"
                           y3="0.21979"
                           yFract="0.02604147"
                           z3="8.49629"
                           zFract="0.38237129"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2798"
                           xFract="0.98101896"
                           y3="2.04209"
                           yFract="0.24195379"
                           z3="6.21422"
                           zFract="0.27966787"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14694"
                           xFract="0.25437678"
                           y3="8.43154"
                           yFract="0.99899763"
                           z3="6.31431"
                           zFract="0.28417237"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00046"
                           xFract="-0.0000545"
                           y3="0.00029"
                           yFract="0.00003436"
                           z3="4.25453"
                           zFract="0.191473"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36843"
                           xFract="0.99152014"
                           y3="0.14901"
                           yFract="0.01765521"
                           z3="8.41338"
                           zFract="0.37863996"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11857"
                           xFract="0.2510154"
                           y3="2.11495"
                           yFract="0.25058649"
                           z3="4.29187"
                           zFract="0.19315347"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97277"
                           xFract="0.23374052"
                           y3="2.02538"
                           yFract="0.23997393"
                           z3="8.5298"
                           zFract="0.38387939"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40194"
                           xFract="0.52155687"
                           y3="2.10892"
                           yFract="0.24987204"
                           z3="6.28719"
                           zFract="0.28295185"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33397"
                           xFract="0.75047038"
                           y3="8.35315"
                           yFract="0.98970972"
                           z3="6.32038"
                           zFract="0.28444554"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20627"
                           xFract="0.49837322"
                           y3="8.30721"
                           yFract="0.98426659"
                           z3="4.21097"
                           zFract="0.1895126"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33305"
                           xFract="0.51339455"
                           y3="0.00453"
                           yFract="0.00053673"
                           z3="8.48457"
                           zFract="0.38184383"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2931"
                           xFract="0.74562796"
                           y3="2.07442"
                           yFract="0.24578436"
                           z3="4.0477"
                           zFract="0.18216472"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6832"
                           xFract="0.79184834"
                           y3="2.21025"
                           yFract="0.26187796"
                           z3="9.01856"
                           zFract="0.40587579"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41033"
                           xFract="0.9964846"
                           y3="6.46927"
                           yFract="0.76650118"
                           z3="6.41516"
                           zFract="0.28871107"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95026"
                           xFract="0.23107346"
                           y3="4.25285"
                           yFract="0.50389218"
                           z3="6.44843"
                           zFract="0.29020837"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02244"
                           xFract="0.00265877"
                           y3="4.1976"
                           yFract="0.49734597"
                           z3="4.12155"
                           zFract="0.1854883"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.33251"
                           xFract="0.03939692"
                           y3="3.96316"
                           yFract="0.46956872"
                           z3="9.37395"
                           zFract="0.42186994"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19367"
                           xFract="0.25991351"
                           y3="6.32672"
                           yFract="0.74961137"
                           z3="4.29561"
                           zFract="0.19332178"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04196"
                           xFract="0.24193839"
                           y3="6.38735"
                           yFract="0.75679502"
                           z3="8.49824"
                           zFract="0.38245905"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22899"
                           xFract="0.50106517"
                           y3="6.34415"
                           yFract="0.75167654"
                           z3="6.29734"
                           zFract="0.28340864"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43112"
                           xFract="0.76198104"
                           y3="4.29581"
                           yFract="0.50898223"
                           z3="6.32811"
                           zFract="0.28479343"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18906"
                           xFract="0.49633412"
                           y3="4.38177"
                           yFract="0.51916706"
                           z3="4.29703"
                           zFract="0.19338569"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14675"
                           xFract="0.49132109"
                           y3="4.2219"
                           yFract="0.50022512"
                           z3="8.52388"
                           zFract="0.38361296"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19532"
                           xFract="0.73404265"
                           y3="6.36344"
                           yFract="0.75396209"
                           z3="4.22962"
                           zFract="0.19035194"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43761"
                           xFract="0.76275"
                           y3="6.15999"
                           yFract="0.72985664"
                           z3="8.4656"
                           zFract="0.3809901"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.112">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.12663"
                           xFract="0.01500355"
                           y3="4.06225"
                           yFract="0.48130924"
                           z3="10.3204"
                           zFract="0.46446445"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03172"
                           xFract="-0.00375829"
                           y3="6.43079"
                           yFract="0.76194194"
                           z3="8.4915"
                           zFract="0.38215572"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32939"
                           xFract="0.74992773"
                           y3="0.01358"
                           yFract="0.001609"
                           z3="4.24699"
                           zFract="0.19113366"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09978"
                           xFract="0.01182227"
                           y3="2.06031"
                           yFract="0.24411256"
                           z3="8.88612"
                           zFract="0.39991539"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34819"
                           xFract="0.75215521"
                           y3="6.32388"
                           yFract="0.74927488"
                           z3="6.37989"
                           zFract="0.28712376"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20733"
                           xFract="0.49849882"
                           y3="6.34318"
                           yFract="0.75156161"
                           z3="4.23581"
                           zFract="0.19063051"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41787"
                           xFract="0.99737796"
                           y3="0.06557"
                           yFract="0.00776896"
                           z3="6.37121"
                           zFract="0.28673312"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41271"
                           xFract="0.99676659"
                           y3="2.10617"
                           yFract="0.24954621"
                           z3="4.20244"
                           zFract="0.18912871"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13558"
                           xFract="0.25303081"
                           y3="4.20179"
                           yFract="0.49784242"
                           z3="8.50844"
                           zFract="0.38291809"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09102"
                           xFract="0.24775118"
                           y3="4.21346"
                           yFract="0.49922512"
                           z3="4.26761"
                           zFract="0.19206166"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07008"
                           xFract="0.24527014"
                           y3="6.34465"
                           yFract="0.75173578"
                           z3="6.38795"
                           zFract="0.2874865"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09472"
                           xFract="0.24818957"
                           y3="0.00963"
                           yFract="0.001141"
                           z3="4.22954"
                           zFract="0.19034833"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2509"
                           xFract="0.50366114"
                           y3="0.03792"
                           yFract="0.00449289"
                           z3="6.32505"
                           zFract="0.28465572"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35293"
                           xFract="0.75271682"
                           y3="2.12213"
                           yFract="0.2514372"
                           z3="6.40017"
                           zFract="0.28803645"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.40104"
                           xFract="0.75841706"
                           y3="4.11405"
                           yFract="0.48744668"
                           z3="8.63458"
                           zFract="0.38859496"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2677"
                           xFract="0.50565166"
                           y3="2.15341"
                           yFract="0.25514336"
                           z3="8.58099"
                           zFract="0.38618317"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42416"
                           xFract="0.99812322"
                           y3="6.31587"
                           yFract="0.74832583"
                           z3="4.26771"
                           zFract="0.19206616"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39947"
                           xFract="0.99519787"
                           y3="4.18483"
                           yFract="0.49583294"
                           z3="6.40616"
                           zFract="0.28830603"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21571"
                           xFract="0.49949171"
                           y3="2.11842"
                           yFract="0.25099763"
                           z3="4.21856"
                           zFract="0.18985419"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03226"
                           xFract="0.2407891"
                           y3="2.10072"
                           yFract="0.24890047"
                           z3="6.42075"
                           zFract="0.28896265"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35951"
                           xFract="0.75349645"
                           y3="4.2115"
                           yFract="0.49899289"
                           z3="4.25625"
                           zFract="0.19155041"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.33669"
                           xFract="0.51382583"
                           y3="6.31236"
                           yFract="0.74790995"
                           z3="8.50231"
                           zFract="0.38264221"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26495"
                           xFract="0.50532583"
                           y3="4.17914"
                           yFract="0.49515877"
                           z3="6.43161"
                           zFract="0.2894514"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16285"
                           xFract="0.25626185"
                           y3="-0.00679"
                           yFract="-0.0008045"
                           z3="8.45155"
                           zFract="0.38035779"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3308"
                           xFract="0.75009479"
                           y3="0.22218"
                           yFract="0.02632464"
                           z3="8.49622"
                           zFract="0.38236814"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27872"
                           xFract="0.980891"
                           y3="2.0422"
                           yFract="0.24196682"
                           z3="6.21516"
                           zFract="0.27971017"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14731"
                           xFract="0.25442062"
                           y3="8.43171"
                           yFract="0.99901777"
                           z3="6.31482"
                           zFract="0.28419532"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00078"
                           xFract="-0.00009242"
                           y3="0.0002"
                           yFract="0.0000237"
                           z3="4.25466"
                           zFract="0.19147885"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36826"
                           xFract="0.9915"
                           y3="0.14943"
                           yFract="0.01770498"
                           z3="8.41362"
                           zFract="0.37865077"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11887"
                           xFract="0.25105095"
                           y3="2.11526"
                           yFract="0.25062322"
                           z3="4.29209"
                           zFract="0.19316337"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9739"
                           xFract="0.23387441"
                           y3="2.02463"
                           yFract="0.23988507"
                           z3="8.52956"
                           zFract="0.38386859"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40138"
                           xFract="0.52149052"
                           y3="2.10903"
                           yFract="0.24988507"
                           z3="6.28731"
                           zFract="0.28295725"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33354"
                           xFract="0.75041943"
                           y3="8.35301"
                           yFract="0.98969313"
                           z3="6.32022"
                           zFract="0.28443834"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20669"
                           xFract="0.49842299"
                           y3="8.30751"
                           yFract="0.98430213"
                           z3="4.21101"
                           zFract="0.1895144"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33328"
                           xFract="0.5134218"
                           y3="0.00414"
                           yFract="0.00049052"
                           z3="8.48459"
                           zFract="0.38184473"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29297"
                           xFract="0.74561256"
                           y3="2.07446"
                           yFract="0.2457891"
                           z3="4.0477"
                           zFract="0.18216472"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.68459"
                           xFract="0.79201303"
                           y3="2.2109"
                           yFract="0.26195498"
                           z3="9.0198"
                           zFract="0.40593159"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41024"
                           xFract="0.99647393"
                           y3="6.4697"
                           yFract="0.76655213"
                           z3="6.41506"
                           zFract="0.28870657"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95025"
                           xFract="0.23107227"
                           y3="4.25266"
                           yFract="0.50386967"
                           z3="6.44885"
                           zFract="0.29022727"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02249"
                           xFract="0.00266469"
                           y3="4.1977"
                           yFract="0.49735782"
                           z3="4.12169"
                           zFract="0.1854946"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.33391"
                           xFract="0.0395628"
                           y3="3.9624"
                           yFract="0.46947867"
                           z3="9.37603"
                           zFract="0.42196355"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19415"
                           xFract="0.25997038"
                           y3="6.32683"
                           yFract="0.74962441"
                           z3="4.29561"
                           zFract="0.19332178"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04172"
                           xFract="0.24190995"
                           y3="6.38751"
                           yFract="0.75681398"
                           z3="8.49826"
                           zFract="0.38245995"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22892"
                           xFract="0.50105687"
                           y3="6.34415"
                           yFract="0.75167654"
                           z3="6.29751"
                           zFract="0.28341629"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43094"
                           xFract="0.76195972"
                           y3="4.29558"
                           yFract="0.50895498"
                           z3="6.3277"
                           zFract="0.28477498"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18936"
                           xFract="0.49636967"
                           y3="4.38194"
                           yFract="0.5191872"
                           z3="4.29722"
                           zFract="0.19339424"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14614"
                           xFract="0.49124882"
                           y3="4.22232"
                           yFract="0.50027488"
                           z3="8.52395"
                           zFract="0.38361611"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19577"
                           xFract="0.73409597"
                           y3="6.36368"
                           yFract="0.75399052"
                           z3="4.22972"
                           zFract="0.19035644"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43838"
                           xFract="0.76284123"
                           y3="6.15838"
                           yFract="0.72966588"
                           z3="8.46552"
                           zFract="0.3809865"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.113">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.12885"
                           xFract="0.01526659"
                           y3="4.06026"
                           yFract="0.48107346"
                           z3="10.32246"
                           zFract="0.46455716"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03265"
                           xFract="-0.00386848"
                           y3="6.43136"
                           yFract="0.76200948"
                           z3="8.49081"
                           zFract="0.38212466"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33048"
                           xFract="0.75005687"
                           y3="0.01363"
                           yFract="0.00161493"
                           z3="4.24737"
                           zFract="0.19115077"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09858"
                           xFract="0.01168009"
                           y3="2.05801"
                           yFract="0.24384005"
                           z3="8.88709"
                           zFract="0.39995905"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34988"
                           xFract="0.75235545"
                           y3="6.32395"
                           yFract="0.74928318"
                           z3="6.38058"
                           zFract="0.28715482"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20407"
                           xFract="0.49811256"
                           y3="6.34162"
                           yFract="0.75137678"
                           z3="4.23549"
                           zFract="0.19061611"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41806"
                           xFract="0.99740047"
                           y3="0.06369"
                           yFract="0.00754621"
                           z3="6.36998"
                           zFract="0.28667777"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41304"
                           xFract="0.99680569"
                           y3="2.10611"
                           yFract="0.2495391"
                           z3="4.20049"
                           zFract="0.18904095"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13738"
                           xFract="0.25324408"
                           y3="4.20277"
                           yFract="0.49795853"
                           z3="8.50849"
                           zFract="0.38292034"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09096"
                           xFract="0.24774408"
                           y3="4.2137"
                           yFract="0.49925355"
                           z3="4.26758"
                           zFract="0.19206031"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06977"
                           xFract="0.24523341"
                           y3="6.34518"
                           yFract="0.75179858"
                           z3="6.38809"
                           zFract="0.2874928"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09403"
                           xFract="0.24810782"
                           y3="0.00941"
                           yFract="0.00111493"
                           z3="4.22925"
                           zFract="0.19033528"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25114"
                           xFract="0.50368957"
                           y3="0.03785"
                           yFract="0.0044846"
                           z3="6.32586"
                           zFract="0.28469217"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35543"
                           xFract="0.75301303"
                           y3="2.12228"
                           yFract="0.25145498"
                           z3="6.39935"
                           zFract="0.28799955"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.40319"
                           xFract="0.7586718"
                           y3="4.1140"
                           yFract="0.48744076"
                           z3="8.63454"
                           zFract="0.38859316"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26712"
                           xFract="0.50558294"
                           y3="2.15348"
                           yFract="0.25515166"
                           z3="8.58129"
                           zFract="0.38619667"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42433"
                           xFract="0.99814336"
                           y3="6.31615"
                           yFract="0.748359"
                           z3="4.26797"
                           zFract="0.19207786"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39987"
                           xFract="0.99524526"
                           y3="4.1852"
                           yFract="0.49587678"
                           z3="6.40664"
                           zFract="0.28832763"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2155"
                           xFract="0.49946682"
                           y3="2.11878"
                           yFract="0.25104028"
                           z3="4.2189"
                           zFract="0.18986949"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03237"
                           xFract="0.24080213"
                           y3="2.10064"
                           yFract="0.248891"
                           z3="6.42066"
                           zFract="0.2889586"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35929"
                           xFract="0.75347038"
                           y3="4.21147"
                           yFract="0.49898934"
                           z3="4.25589"
                           zFract="0.1915342"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.33865"
                           xFract="0.51405806"
                           y3="6.31236"
                           yFract="0.74790995"
                           z3="8.50257"
                           zFract="0.38265392"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26507"
                           xFract="0.50534005"
                           y3="4.17898"
                           yFract="0.49513981"
                           z3="6.43172"
                           zFract="0.28945635"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1633"
                           xFract="0.25631517"
                           y3="-0.00665"
                           yFract="-0.00078791"
                           z3="8.45185"
                           zFract="0.38037129"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33106"
                           xFract="0.75012559"
                           y3="0.22696"
                           yFract="0.026891"
                           z3="8.49609"
                           zFract="0.38236229"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27658"
                           xFract="0.98063744"
                           y3="2.04241"
                           yFract="0.24199171"
                           z3="6.21705"
                           zFract="0.27979523"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14806"
                           xFract="0.25450948"
                           y3="8.43205"
                           yFract="0.99905806"
                           z3="6.31583"
                           zFract="0.28424077"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00141"
                           xFract="-0.00016706"
                           y3="0.00003"
                           yFract="0.00000355"
                           z3="4.25491"
                           zFract="0.1914901"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36791"
                           xFract="0.99145853"
                           y3="0.15026"
                           yFract="0.01780332"
                           z3="8.4141"
                           zFract="0.37867237"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11946"
                           xFract="0.25112085"
                           y3="2.11586"
                           yFract="0.25069431"
                           z3="4.29254"
                           zFract="0.19318362"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97616"
                           xFract="0.23414218"
                           y3="2.02312"
                           yFract="0.23970616"
                           z3="8.52909"
                           zFract="0.38384743"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40025"
                           xFract="0.52135664"
                           y3="2.10926"
                           yFract="0.24991232"
                           z3="6.28755"
                           zFract="0.28296805"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33267"
                           xFract="0.75031635"
                           y3="8.35273"
                           yFract="0.98965995"
                           z3="6.31991"
                           zFract="0.28442439"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20754"
                           xFract="0.4985237"
                           y3="8.30812"
                           yFract="0.98437441"
                           z3="4.2111"
                           zFract="0.18951845"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33374"
                           xFract="0.5134763"
                           y3="0.00335"
                           yFract="0.00039692"
                           z3="8.48463"
                           zFract="0.38184653"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2927"
                           xFract="0.74558057"
                           y3="2.07454"
                           yFract="0.24579858"
                           z3="4.04771"
                           zFract="0.18216517"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.68739"
                           xFract="0.79234479"
                           y3="2.21221"
                           yFract="0.26211019"
                           z3="9.02229"
                           zFract="0.40604365"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41006"
                           xFract="0.99645261"
                           y3="6.47056"
                           yFract="0.76665403"
                           z3="6.41484"
                           zFract="0.28869667"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95023"
                           xFract="0.23106991"
                           y3="4.25229"
                           yFract="0.50382583"
                           z3="6.44967"
                           zFract="0.29026418"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02258"
                           xFract="0.00267536"
                           y3="4.19789"
                           yFract="0.49738033"
                           z3="4.12199"
                           zFract="0.1855081"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.3367"
                           xFract="0.03989336"
                           y3="3.96089"
                           yFract="0.46929976"
                           z3="9.38019"
                           zFract="0.42215077"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19512"
                           xFract="0.26008531"
                           y3="6.32705"
                           yFract="0.74965047"
                           z3="4.29562"
                           zFract="0.19332223"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04123"
                           xFract="0.2418519"
                           y3="6.38782"
                           yFract="0.75685071"
                           z3="8.49828"
                           zFract="0.38246085"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22879"
                           xFract="0.50104147"
                           y3="6.34415"
                           yFract="0.75167654"
                           z3="6.29785"
                           zFract="0.28343159"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43059"
                           xFract="0.76191825"
                           y3="4.29512"
                           yFract="0.50890047"
                           z3="6.32688"
                           zFract="0.28473807"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18996"
                           xFract="0.49644076"
                           y3="4.38228"
                           yFract="0.51922749"
                           z3="4.29759"
                           zFract="0.19341089"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14494"
                           xFract="0.49110664"
                           y3="4.22315"
                           yFract="0.50037322"
                           z3="8.52408"
                           zFract="0.38362196"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19668"
                           xFract="0.73420379"
                           y3="6.36418"
                           yFract="0.75404976"
                           z3="4.22993"
                           zFract="0.19036589"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.43992"
                           xFract="0.7630237"
                           y3="6.15517"
                           yFract="0.72928555"
                           z3="8.46536"
                           zFract="0.3809793"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.114">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1333"
                           xFract="0.01579384"
                           y3="4.05629"
                           yFract="0.48060308"
                           z3="10.32658"
                           zFract="0.46474257"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03452"
                           xFract="-0.00409005"
                           y3="6.4325"
                           yFract="0.76214455"
                           z3="8.48942"
                           zFract="0.38206211"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33267"
                           xFract="0.75031635"
                           y3="0.01372"
                           yFract="0.00162559"
                           z3="4.24814"
                           zFract="0.19118542"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09617"
                           xFract="0.01139455"
                           y3="2.05341"
                           yFract="0.24329502"
                           z3="8.88904"
                           zFract="0.4000468"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35327"
                           xFract="0.75275711"
                           y3="6.3241"
                           yFract="0.74930095"
                           z3="6.38195"
                           zFract="0.28721647"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.19755"
                           xFract="0.49734005"
                           y3="6.33848"
                           yFract="0.75100474"
                           z3="4.23486"
                           zFract="0.19058776"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41844"
                           xFract="0.9974455"
                           y3="0.05994"
                           yFract="0.0071019"
                           z3="6.36751"
                           zFract="0.28656661"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4137"
                           xFract="0.99688389"
                           y3="2.1060"
                           yFract="0.24952607"
                           z3="4.19659"
                           zFract="0.18886544"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1410"
                           xFract="0.25367299"
                           y3="4.20474"
                           yFract="0.49819194"
                           z3="8.50858"
                           zFract="0.38292439"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09086"
                           xFract="0.24773223"
                           y3="4.21418"
                           yFract="0.49931043"
                           z3="4.26752"
                           zFract="0.19205761"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06916"
                           xFract="0.24516114"
                           y3="6.34622"
                           yFract="0.7519218"
                           z3="6.38837"
                           zFract="0.2875054"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09265"
                           xFract="0.24794431"
                           y3="0.00897"
                           yFract="0.0010628"
                           z3="4.22867"
                           zFract="0.19030918"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25161"
                           xFract="0.50374526"
                           y3="0.03771"
                           yFract="0.00446801"
                           z3="6.32747"
                           zFract="0.28476463"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36042"
                           xFract="0.75360427"
                           y3="2.12259"
                           yFract="0.25149171"
                           z3="6.39772"
                           zFract="0.28792619"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.4075"
                           xFract="0.75918246"
                           y3="4.11389"
                           yFract="0.48742773"
                           z3="8.63447"
                           zFract="0.38859001"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26596"
                           xFract="0.5054455"
                           y3="2.15364"
                           yFract="0.25517062"
                           z3="8.58189"
                           zFract="0.38622367"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42466"
                           xFract="0.99818246"
                           y3="6.3167"
                           yFract="0.74842417"
                           z3="4.2685"
                           zFract="0.19210171"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40066"
                           xFract="0.99533886"
                           y3="4.18593"
                           yFract="0.49596327"
                           z3="6.40761"
                           zFract="0.28837129"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21509"
                           xFract="0.49941825"
                           y3="2.11951"
                           yFract="0.25112678"
                           z3="4.21957"
                           zFract="0.18989964"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0326"
                           xFract="0.24082938"
                           y3="2.10046"
                           yFract="0.24886967"
                           z3="6.42048"
                           zFract="0.2889505"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35885"
                           xFract="0.75341825"
                           y3="4.2114"
                           yFract="0.49898104"
                           z3="4.25517"
                           zFract="0.1915018"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34258"
                           xFract="0.5145237"
                           y3="6.31234"
                           yFract="0.74790758"
                           z3="8.5031"
                           zFract="0.38267777"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26532"
                           xFract="0.50536967"
                           y3="4.17866"
                           yFract="0.4951019"
                           z3="6.43195"
                           zFract="0.2894667"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16418"
                           xFract="0.25641943"
                           y3="-0.00638"
                           yFract="-0.00075592"
                           z3="8.45245"
                           zFract="0.38039829"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33159"
                           xFract="0.75018839"
                           y3="0.23651"
                           yFract="0.02802251"
                           z3="8.49583"
                           zFract="0.38235059"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27228"
                           xFract="0.98012796"
                           y3="2.04284"
                           yFract="0.24204265"
                           z3="6.22082"
                           zFract="0.2799649"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14954"
                           xFract="0.25468483"
                           y3="8.43272"
                           yFract="0.99913744"
                           z3="6.31784"
                           zFract="0.28433123"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00267"
                           xFract="-0.00031635"
                           y3="-0.00031"
                           yFract="-0.00003673"
                           z3="4.25542"
                           zFract="0.19151305"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36723"
                           xFract="0.99137796"
                           y3="0.15192"
                           yFract="0.0180"
                           z3="8.41507"
                           zFract="0.37871602"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12064"
                           xFract="0.25126066"
                           y3="2.11708"
                           yFract="0.25083886"
                           z3="4.29344"
                           zFract="0.19322412"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98069"
                           xFract="0.23467891"
                           y3="2.02009"
                           yFract="0.23934716"
                           z3="8.52814"
                           zFract="0.38380468"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3980"
                           xFract="0.52109005"
                           y3="2.10972"
                           yFract="0.24996682"
                           z3="6.28803"
                           zFract="0.28298965"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33093"
                           xFract="0.75011019"
                           y3="8.35217"
                           yFract="0.9895936"
                           z3="6.3193"
                           zFract="0.28439694"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20923"
                           xFract="0.49872393"
                           y3="8.30933"
                           yFract="0.98451777"
                           z3="4.21127"
                           zFract="0.1895261"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33466"
                           xFract="0.51358531"
                           y3="0.00177"
                           yFract="0.00020972"
                           z3="8.4847"
                           zFract="0.38184968"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29217"
                           xFract="0.74551777"
                           y3="2.0747"
                           yFract="0.24581754"
                           z3="4.04773"
                           zFract="0.18216607"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69297"
                           xFract="0.79300592"
                           y3="2.21483"
                           yFract="0.26242062"
                           z3="9.02727"
                           zFract="0.40626778"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4097"
                           xFract="0.99640995"
                           y3="6.47228"
                           yFract="0.76685782"
                           z3="6.4144"
                           zFract="0.28867687"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9502"
                           xFract="0.23106635"
                           y3="4.25155"
                           yFract="0.50373815"
                           z3="6.45133"
                           zFract="0.29033888"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02277"
                           xFract="0.00269787"
                           y3="4.19827"
                           yFract="0.49742536"
                           z3="4.12258"
                           zFract="0.18553465"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.34228"
                           xFract="0.0405545"
                           y3="3.95786"
                           yFract="0.46894076"
                           z3="9.38851"
                           zFract="0.4225252"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19706"
                           xFract="0.26031517"
                           y3="6.3275"
                           yFract="0.74970379"
                           z3="4.29563"
                           zFract="0.19332268"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04024"
                           xFract="0.2417346"
                           y3="6.38844"
                           yFract="0.75692417"
                           z3="8.49833"
                           zFract="0.3824631"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22852"
                           xFract="0.50100948"
                           y3="6.34414"
                           yFract="0.75167536"
                           z3="6.29853"
                           zFract="0.2834622"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42989"
                           xFract="0.76183531"
                           y3="4.29421"
                           yFract="0.50879265"
                           z3="6.32525"
                           zFract="0.28466472"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19115"
                           xFract="0.49658175"
                           y3="4.38296"
                           yFract="0.51930806"
                           z3="4.29832"
                           zFract="0.19344374"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14252"
                           xFract="0.49081991"
                           y3="4.22481"
                           yFract="0.50056991"
                           z3="8.52435"
                           zFract="0.38363411"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19849"
                           xFract="0.73441825"
                           y3="6.36516"
                           yFract="0.75416588"
                           z3="4.23033"
                           zFract="0.19038389"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4430"
                           xFract="0.76338863"
                           y3="6.14873"
                           yFract="0.72852251"
                           z3="8.46503"
                           zFract="0.38096445"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.115">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.13072"
                           xFract="0.01548815"
                           y3="4.05859"
                           yFract="0.48087559"
                           z3="10.32419"
                           zFract="0.46463501"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03344"
                           xFract="-0.00396209"
                           y3="6.43184"
                           yFract="0.76206635"
                           z3="8.49023"
                           zFract="0.38209856"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3314"
                           xFract="0.75016588"
                           y3="0.01366"
                           yFract="0.00161848"
                           z3="4.24769"
                           zFract="0.19116517"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09757"
                           xFract="0.01156043"
                           y3="2.05608"
                           yFract="0.24361137"
                           z3="8.88791"
                           zFract="0.39999595"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35131"
                           xFract="0.75252488"
                           y3="6.32401"
                           yFract="0.74929028"
                           z3="6.38115"
                           zFract="0.28718047"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20133"
                           xFract="0.49778791"
                           y3="6.3403"
                           yFract="0.75122038"
                           z3="4.23523"
                           zFract="0.19060441"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41822"
                           xFract="0.99741943"
                           y3="0.06212"
                           yFract="0.00736019"
                           z3="6.36894"
                           zFract="0.28663096"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41332"
                           xFract="0.99683886"
                           y3="2.10607"
                           yFract="0.24953436"
                           z3="4.19885"
                           zFract="0.18896715"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1389"
                           xFract="0.25342417"
                           y3="4.2036"
                           yFract="0.49805687"
                           z3="8.50853"
                           zFract="0.38292214"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09092"
                           xFract="0.24773934"
                           y3="4.2139"
                           yFract="0.49927725"
                           z3="4.26756"
                           zFract="0.19205941"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06952"
                           xFract="0.24520379"
                           y3="6.34561"
                           yFract="0.75184953"
                           z3="6.38821"
                           zFract="0.2874982"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09345"
                           xFract="0.2480391"
                           y3="0.00922"
                           yFract="0.00109242"
                           z3="4.22901"
                           zFract="0.19032448"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25134"
                           xFract="0.50371327"
                           y3="0.03779"
                           yFract="0.00447749"
                           z3="6.32654"
                           zFract="0.28472277"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35752"
                           xFract="0.75326066"
                           y3="2.12241"
                           yFract="0.25147038"
                           z3="6.39867"
                           zFract="0.28796895"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.4050"
                           xFract="0.75888626"
                           y3="4.11395"
                           yFract="0.48743483"
                           z3="8.63451"
                           zFract="0.38859181"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26663"
                           xFract="0.50552488"
                           y3="2.15355"
                           yFract="0.25515995"
                           z3="8.58154"
                           zFract="0.38620792"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42447"
                           xFract="0.99815995"
                           y3="6.31638"
                           yFract="0.74838626"
                           z3="4.26819"
                           zFract="0.19208776"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4002"
                           xFract="0.99528436"
                           y3="4.18551"
                           yFract="0.49591351"
                           z3="6.40705"
                           zFract="0.28834608"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21533"
                           xFract="0.49944668"
                           y3="2.11909"
                           yFract="0.25107701"
                           z3="4.21918"
                           zFract="0.18988209"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03247"
                           xFract="0.24081398"
                           y3="2.10056"
                           yFract="0.24888152"
                           z3="6.42058"
                           zFract="0.288955"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35911"
                           xFract="0.75344905"
                           y3="4.21144"
                           yFract="0.49898578"
                           z3="4.25559"
                           zFract="0.1915207"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.3403"
                           xFract="0.51425355"
                           y3="6.31235"
                           yFract="0.74790877"
                           z3="8.50279"
                           zFract="0.38266382"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26518"
                           xFract="0.50535308"
                           y3="4.17885"
                           yFract="0.49512441"
                           z3="6.43182"
                           zFract="0.28946085"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16367"
                           xFract="0.256359"
                           y3="-0.00654"
                           yFract="-0.00077488"
                           z3="8.4521"
                           zFract="0.38038254"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33129"
                           xFract="0.75015284"
                           y3="0.23096"
                           yFract="0.02736493"
                           z3="8.49598"
                           zFract="0.38235734"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27477"
                           xFract="0.98042299"
                           y3="2.04259"
                           yFract="0.24201303"
                           z3="6.21863"
                           zFract="0.27986634"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14868"
                           xFract="0.25458294"
                           y3="8.43233"
                           yFract="0.99909123"
                           z3="6.31667"
                           zFract="0.28427858"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00194"
                           xFract="-0.00022986"
                           y3="-0.00011"
                           yFract="-0.00001303"
                           z3="4.25512"
                           zFract="0.19149955"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36763"
                           xFract="0.99142536"
                           y3="0.15096"
                           yFract="0.01788626"
                           z3="8.41451"
                           zFract="0.37869082"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11995"
                           xFract="0.25117891"
                           y3="2.11637"
                           yFract="0.25075474"
                           z3="4.29292"
                           zFract="0.19320072"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97806"
                           xFract="0.2343673"
                           y3="2.02185"
                           yFract="0.23955569"
                           z3="8.52869"
                           zFract="0.38382943"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39931"
                           xFract="0.52124526"
                           y3="2.10946"
                           yFract="0.24993602"
                           z3="6.28775"
                           zFract="0.28297705"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33194"
                           xFract="0.75022986"
                           y3="8.3525"
                           yFract="0.9896327"
                           z3="6.31966"
                           zFract="0.28441314"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20825"
                           xFract="0.49860782"
                           y3="8.30862"
                           yFract="0.98443365"
                           z3="4.21117"
                           zFract="0.1895216"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33413"
                           xFract="0.51352251"
                           y3="0.00269"
                           yFract="0.00031872"
                           z3="8.48466"
                           zFract="0.38184788"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29248"
                           xFract="0.7455545"
                           y3="2.07461"
                           yFract="0.24580687"
                           z3="4.04772"
                           zFract="0.18216562"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.68973"
                           xFract="0.79262204"
                           y3="2.21331"
                           yFract="0.26224052"
                           z3="9.02438"
                           zFract="0.40613771"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40991"
                           xFract="0.99643483"
                           y3="6.47128"
                           yFract="0.76673934"
                           z3="6.41466"
                           zFract="0.28868857"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95022"
                           xFract="0.23106872"
                           y3="4.25198"
                           yFract="0.5037891"
                           z3="6.45037"
                           zFract="0.29029568"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02266"
                           xFract="0.00268483"
                           y3="4.19805"
                           yFract="0.49739929"
                           z3="4.12224"
                           zFract="0.18551935"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.33904"
                           xFract="0.04017062"
                           y3="3.95962"
                           yFract="0.46914929"
                           z3="9.38368"
                           zFract="0.42230783"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19593"
                           xFract="0.26018128"
                           y3="6.32724"
                           yFract="0.74967299"
                           z3="4.29562"
                           zFract="0.19332223"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04081"
                           xFract="0.24180213"
                           y3="6.38808"
                           yFract="0.75688152"
                           z3="8.4983"
                           zFract="0.38246175"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22868"
                           xFract="0.50102844"
                           y3="6.34414"
                           yFract="0.75167536"
                           z3="6.29814"
                           zFract="0.28344464"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4303"
                           xFract="0.76188389"
                           y3="4.29474"
                           yFract="0.50885545"
                           z3="6.3262"
                           zFract="0.28470747"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19046"
                           xFract="0.4965"
                           y3="4.38256"
                           yFract="0.51926066"
                           z3="4.2979"
                           zFract="0.19342484"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14392"
                           xFract="0.49098578"
                           y3="4.22385"
                           yFract="0.50045616"
                           z3="8.52419"
                           zFract="0.38362691"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19744"
                           xFract="0.73429384"
                           y3="6.36459"
                           yFract="0.75409834"
                           z3="4.2301"
                           zFract="0.19037354"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44121"
                           xFract="0.76317654"
                           y3="6.15247"
                           yFract="0.72896564"
                           z3="8.46522"
                           zFract="0.380973"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.116">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.13128"
                           xFract="0.0155545"
                           y3="4.05798"
                           yFract="0.48080332"
                           z3="10.32803"
                           zFract="0.46480783"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0338"
                           xFract="-0.00400474"
                           y3="6.43207"
                           yFract="0.7620936"
                           z3="8.49001"
                           zFract="0.38208866"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33204"
                           xFract="0.75024171"
                           y3="0.01348"
                           yFract="0.00159716"
                           z3="4.2480"
                           zFract="0.19117912"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.09816"
                           xFract="0.01163033"
                           y3="2.05513"
                           yFract="0.24349882"
                           z3="8.88837"
                           zFract="0.40001665"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35209"
                           xFract="0.7526173"
                           y3="6.32405"
                           yFract="0.74929502"
                           z3="6.38148"
                           zFract="0.28719532"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20041"
                           xFract="0.49767891"
                           y3="6.33993"
                           yFract="0.75117654"
                           z3="4.23523"
                           zFract="0.19060441"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41833"
                           xFract="0.99743246"
                           y3="0.0612"
                           yFract="0.00725118"
                           z3="6.36832"
                           zFract="0.28660306"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41362"
                           xFract="0.99687441"
                           y3="2.10605"
                           yFract="0.24953199"
                           z3="4.19783"
                           zFract="0.18892124"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13953"
                           xFract="0.25349882"
                           y3="4.20395"
                           yFract="0.49809834"
                           z3="8.50872"
                           zFract="0.38293069"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09082"
                           xFract="0.24772749"
                           y3="4.21385"
                           yFract="0.49927133"
                           z3="4.26745"
                           zFract="0.19205446"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06933"
                           xFract="0.24518128"
                           y3="6.34596"
                           yFract="0.751891"
                           z3="6.38852"
                           zFract="0.28751215"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09314"
                           xFract="0.24800237"
                           y3="0.00913"
                           yFract="0.00108175"
                           z3="4.22871"
                           zFract="0.19031098"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25149"
                           xFract="0.50373104"
                           y3="0.03774"
                           yFract="0.00447156"
                           z3="6.32706"
                           zFract="0.28474617"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35797"
                           xFract="0.75331398"
                           y3="2.12259"
                           yFract="0.25149171"
                           z3="6.39807"
                           zFract="0.28794194"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.40606"
                           xFract="0.75901185"
                           y3="4.11398"
                           yFract="0.48743839"
                           z3="8.63455"
                           zFract="0.38859361"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26624"
                           xFract="0.50547867"
                           y3="2.15343"
                           yFract="0.25514573"
                           z3="8.58166"
                           zFract="0.38621332"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42444"
                           xFract="0.9981564"
                           y3="6.31638"
                           yFract="0.74838626"
                           z3="4.26825"
                           zFract="0.19209046"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40033"
                           xFract="0.99529976"
                           y3="4.18584"
                           yFract="0.49595261"
                           z3="6.40731"
                           zFract="0.28835779"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21531"
                           xFract="0.49944431"
                           y3="2.1192"
                           yFract="0.25109005"
                           z3="4.2194"
                           zFract="0.18989199"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03259"
                           xFract="0.2408282"
                           y3="2.10045"
                           yFract="0.24886848"
                           z3="6.4205"
                           zFract="0.2889514"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35897"
                           xFract="0.75343246"
                           y3="4.21149"
                           yFract="0.49899171"
                           z3="4.25538"
                           zFract="0.19151125"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34129"
                           xFract="0.51437085"
                           y3="6.31245"
                           yFract="0.74792062"
                           z3="8.5027"
                           zFract="0.38265977"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26533"
                           xFract="0.50537085"
                           y3="4.1787"
                           yFract="0.49510664"
                           z3="6.43179"
                           zFract="0.2894595"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16396"
                           xFract="0.25639336"
                           y3="-0.00645"
                           yFract="-0.00076422"
                           z3="8.4524"
                           zFract="0.38039604"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3313"
                           xFract="0.75015403"
                           y3="0.23353"
                           yFract="0.02766943"
                           z3="8.49587"
                           zFract="0.38235239"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27412"
                           xFract="0.98034597"
                           y3="2.04268"
                           yFract="0.2420237"
                           z3="6.21963"
                           zFract="0.27991134"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14909"
                           xFract="0.25463152"
                           y3="8.43253"
                           yFract="0.99911493"
                           z3="6.31711"
                           zFract="0.28429838"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00225"
                           xFract="-0.00026659"
                           y3="-0.0002"
                           yFract="-0.0000237"
                           z3="4.2553"
                           zFract="0.19150765"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36748"
                           xFract="0.99140758"
                           y3="0.15129"
                           yFract="0.01792536"
                           z3="8.41475"
                           zFract="0.37870162"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11996"
                           xFract="0.25118009"
                           y3="2.11668"
                           yFract="0.25079147"
                           z3="4.29303"
                           zFract="0.19320567"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97887"
                           xFract="0.23446327"
                           y3="2.02095"
                           yFract="0.23944905"
                           z3="8.52853"
                           zFract="0.38382223"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39906"
                           xFract="0.52121564"
                           y3="2.10964"
                           yFract="0.24995735"
                           z3="6.28768"
                           zFract="0.2829739"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33154"
                           xFract="0.75018246"
                           y3="8.35247"
                           yFract="0.98962915"
                           z3="6.31955"
                           zFract="0.28440819"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20865"
                           xFract="0.49865521"
                           y3="8.30881"
                           yFract="0.98445616"
                           z3="4.21124"
                           zFract="0.18952475"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3343"
                           xFract="0.51354265"
                           y3="0.00212"
                           yFract="0.00025118"
                           z3="8.48451"
                           zFract="0.38184113"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29254"
                           xFract="0.74556161"
                           y3="2.07466"
                           yFract="0.2458128"
                           z3="4.04771"
                           zFract="0.18216517"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69071"
                           xFract="0.79273815"
                           y3="2.21393"
                           yFract="0.26231398"
                           z3="9.02569"
                           zFract="0.40619667"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41007"
                           xFract="0.99645379"
                           y3="6.47165"
                           yFract="0.76678318"
                           z3="6.4144"
                           zFract="0.28867687"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95014"
                           xFract="0.23105924"
                           y3="4.25154"
                           yFract="0.50373697"
                           z3="6.45054"
                           zFract="0.29030333"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02272"
                           xFract="0.00269194"
                           y3="4.19825"
                           yFract="0.49742299"
                           z3="4.12242"
                           zFract="0.18552745"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.34101"
                           xFract="0.04040403"
                           y3="3.95843"
                           yFract="0.46900829"
                           z3="9.38312"
                           zFract="0.42228263"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19633"
                           xFract="0.26022867"
                           y3="6.32721"
                           yFract="0.74966943"
                           z3="4.29557"
                           zFract="0.19331998"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04038"
                           xFract="0.24175118"
                           y3="6.38816"
                           yFract="0.756891"
                           z3="8.49808"
                           zFract="0.38245185"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22852"
                           xFract="0.50100948"
                           y3="6.34399"
                           yFract="0.75165758"
                           z3="6.29826"
                           zFract="0.28345005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43016"
                           xFract="0.7618673"
                           y3="4.29467"
                           yFract="0.50884716"
                           z3="6.32583"
                           zFract="0.28469082"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19059"
                           xFract="0.4965154"
                           y3="4.38226"
                           yFract="0.51922512"
                           z3="4.29804"
                           zFract="0.19343114"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14342"
                           xFract="0.49092654"
                           y3="4.22444"
                           yFract="0.50052607"
                           z3="8.52421"
                           zFract="0.38362781"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1975"
                           xFract="0.73430095"
                           y3="6.36476"
                           yFract="0.75411848"
                           z3="4.23029"
                           zFract="0.19038209"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44211"
                           xFract="0.76328318"
                           y3="6.15119"
                           yFract="0.72881398"
                           z3="8.46524"
                           zFract="0.3809739"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.117">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.13161"
                           xFract="0.0155936"
                           y3="4.05763"
                           yFract="0.48076185"
                           z3="10.33024"
                           zFract="0.46490729"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03401"
                           xFract="-0.00402962"
                           y3="6.4322"
                           yFract="0.762109"
                           z3="8.48988"
                           zFract="0.38208281"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33241"
                           xFract="0.75028555"
                           y3="0.01338"
                           yFract="0.00158531"
                           z3="4.24817"
                           zFract="0.19118677"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0985"
                           xFract="0.01167062"
                           y3="2.05459"
                           yFract="0.24343483"
                           z3="8.88864"
                           zFract="0.4000288"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35254"
                           xFract="0.75267062"
                           y3="6.32407"
                           yFract="0.74929739"
                           z3="6.38167"
                           zFract="0.28720387"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.19987"
                           xFract="0.49761493"
                           y3="6.33971"
                           yFract="0.75115047"
                           z3="4.23523"
                           zFract="0.19060441"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4184"
                           xFract="0.99744076"
                           y3="0.06066"
                           yFract="0.0071872"
                           z3="6.36796"
                           zFract="0.28658686"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41379"
                           xFract="0.99689455"
                           y3="2.10605"
                           yFract="0.24953199"
                           z3="4.19723"
                           zFract="0.18889424"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13989"
                           xFract="0.25354147"
                           y3="4.20416"
                           yFract="0.49812322"
                           z3="8.50883"
                           zFract="0.38293564"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09076"
                           xFract="0.24772038"
                           y3="4.21382"
                           yFract="0.49926777"
                           z3="4.26739"
                           zFract="0.19205176"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06922"
                           xFract="0.24516825"
                           y3="6.34616"
                           yFract="0.75191469"
                           z3="6.3887"
                           zFract="0.28752025"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09296"
                           xFract="0.24798104"
                           y3="0.00907"
                           yFract="0.00107464"
                           z3="4.22854"
                           zFract="0.19030333"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25158"
                           xFract="0.50374171"
                           y3="0.0377"
                           yFract="0.00446682"
                           z3="6.32736"
                           zFract="0.28475968"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35822"
                           xFract="0.7533436"
                           y3="2.12269"
                           yFract="0.25150355"
                           z3="6.39772"
                           zFract="0.28792619"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.40667"
                           xFract="0.75908412"
                           y3="4.1140"
                           yFract="0.48744076"
                           z3="8.63458"
                           zFract="0.38859496"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26602"
                           xFract="0.50545261"
                           y3="2.15336"
                           yFract="0.25513744"
                           z3="8.58172"
                           zFract="0.38621602"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42442"
                           xFract="0.99815403"
                           y3="6.31639"
                           yFract="0.74838744"
                           z3="4.26828"
                           zFract="0.19209181"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40041"
                           xFract="0.99530924"
                           y3="4.18603"
                           yFract="0.49597512"
                           z3="6.40745"
                           zFract="0.28836409"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2153"
                           xFract="0.49944313"
                           y3="2.11927"
                           yFract="0.25109834"
                           z3="4.21953"
                           zFract="0.18989784"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03266"
                           xFract="0.24083649"
                           y3="2.10038"
                           yFract="0.24886019"
                           z3="6.42044"
                           zFract="0.28894869"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3589"
                           xFract="0.75342417"
                           y3="4.21151"
                           yFract="0.49899408"
                           z3="4.25527"
                           zFract="0.1915063"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34187"
                           xFract="0.51443957"
                           y3="6.3125"
                           yFract="0.74792654"
                           z3="8.50265"
                           zFract="0.38265752"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26542"
                           xFract="0.50538152"
                           y3="4.17861"
                           yFract="0.49509597"
                           z3="6.43178"
                           zFract="0.28945905"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16413"
                           xFract="0.25641351"
                           y3="-0.00639"
                           yFract="-0.00075711"
                           z3="8.45257"
                           zFract="0.38040369"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33131"
                           xFract="0.75015521"
                           y3="0.23501"
                           yFract="0.02784479"
                           z3="8.49581"
                           zFract="0.38234968"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27374"
                           xFract="0.98030095"
                           y3="2.04273"
                           yFract="0.24202962"
                           z3="6.22021"
                           zFract="0.27993744"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14932"
                           xFract="0.25465877"
                           y3="8.43265"
                           yFract="0.99912915"
                           z3="6.31737"
                           zFract="0.28431008"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00242"
                           xFract="-0.00028673"
                           y3="-0.00026"
                           yFract="-0.00003081"
                           z3="4.2554"
                           zFract="0.19151215"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36739"
                           xFract="0.99139692"
                           y3="0.15148"
                           yFract="0.01794787"
                           z3="8.41489"
                           zFract="0.37870792"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11997"
                           xFract="0.25118128"
                           y3="2.11686"
                           yFract="0.2508128"
                           z3="4.29309"
                           zFract="0.19320837"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97934"
                           xFract="0.23451896"
                           y3="2.02043"
                           yFract="0.23938744"
                           z3="8.52844"
                           zFract="0.38381818"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39891"
                           xFract="0.52119787"
                           y3="2.10974"
                           yFract="0.24996919"
                           z3="6.28763"
                           zFract="0.28297165"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33131"
                           xFract="0.75015521"
                           y3="8.35246"
                           yFract="0.98962796"
                           z3="6.31949"
                           zFract="0.28440549"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20889"
                           xFract="0.49868365"
                           y3="8.30891"
                           yFract="0.98446801"
                           z3="4.21128"
                           zFract="0.18952655"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3344"
                           xFract="0.5135545"
                           y3="0.0018"
                           yFract="0.00021327"
                           z3="8.48442"
                           zFract="0.38183708"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29257"
                           xFract="0.74556517"
                           y3="2.07469"
                           yFract="0.24581635"
                           z3="4.0477"
                           zFract="0.18216472"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69127"
                           xFract="0.7928045"
                           y3="2.21428"
                           yFract="0.26235545"
                           z3="9.02645"
                           zFract="0.40623087"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41016"
                           xFract="0.99646445"
                           y3="6.47186"
                           yFract="0.76680806"
                           z3="6.41426"
                           zFract="0.28867057"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.95009"
                           xFract="0.23105332"
                           y3="4.25128"
                           yFract="0.50370616"
                           z3="6.45064"
                           zFract="0.29030783"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02275"
                           xFract="0.0026955"
                           y3="4.19837"
                           yFract="0.4974372"
                           z3="4.12253"
                           zFract="0.1855324"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.34215"
                           xFract="0.0405391"
                           y3="3.95775"
                           yFract="0.46892773"
                           z3="9.3828"
                           zFract="0.42226823"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19657"
                           xFract="0.26025711"
                           y3="6.32719"
                           yFract="0.74966706"
                           z3="4.29554"
                           zFract="0.19331863"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04012"
                           xFract="0.24172038"
                           y3="6.38821"
                           yFract="0.75689692"
                           z3="8.49795"
                           zFract="0.38244599"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22842"
                           xFract="0.50099763"
                           y3="6.3439"
                           yFract="0.75164692"
                           z3="6.29833"
                           zFract="0.2834532"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43008"
                           xFract="0.76185782"
                           y3="4.29463"
                           yFract="0.50884242"
                           z3="6.32562"
                           zFract="0.28468137"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19067"
                           xFract="0.49652488"
                           y3="4.38208"
                           yFract="0.51920379"
                           z3="4.29812"
                           zFract="0.19343474"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14313"
                           xFract="0.49089218"
                           y3="4.22479"
                           yFract="0.50056754"
                           z3="8.52422"
                           zFract="0.38362826"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19754"
                           xFract="0.73430569"
                           y3="6.36486"
                           yFract="0.75413033"
                           z3="4.2304"
                           zFract="0.19038704"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44262"
                           xFract="0.7633436"
                           y3="6.15045"
                           yFract="0.7287263"
                           z3="8.46525"
                           zFract="0.38097435"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.118">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.13236"
                           xFract="0.01568246"
                           y3="4.05718"
                           yFract="0.48070853"
                           z3="10.33136"
                           zFract="0.4649577"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03404"
                           xFract="-0.00403318"
                           y3="6.43228"
                           yFract="0.76211848"
                           z3="8.48991"
                           zFract="0.38208416"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33271"
                           xFract="0.75032109"
                           y3="0.01309"
                           yFract="0.00155095"
                           z3="4.24841"
                           zFract="0.19119757"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.10003"
                           xFract="0.0118519"
                           y3="2.05442"
                           yFract="0.24341469"
                           z3="8.88897"
                           zFract="0.40004365"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35274"
                           xFract="0.75269431"
                           y3="6.32405"
                           yFract="0.74929502"
                           z3="6.38175"
                           zFract="0.28720747"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20036"
                           xFract="0.49767299"
                           y3="6.34002"
                           yFract="0.7511872"
                           z3="4.23544"
                           zFract="0.19061386"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41845"
                           xFract="0.99744668"
                           y3="0.06043"
                           yFract="0.00715995"
                           z3="6.36777"
                           zFract="0.28657831"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41405"
                           xFract="0.99692536"
                           y3="2.10608"
                           yFract="0.24953555"
                           z3="4.19682"
                           zFract="0.18887579"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14002"
                           xFract="0.25355687"
                           y3="4.20427"
                           yFract="0.49813626"
                           z3="8.50906"
                           zFract="0.38294599"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09064"
                           xFract="0.24770616"
                           y3="4.21363"
                           yFract="0.49924526"
                           z3="4.26729"
                           zFract="0.19204725"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06915"
                           xFract="0.24515995"
                           y3="6.34642"
                           yFract="0.7519455"
                           z3="6.38912"
                           zFract="0.28753915"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09291"
                           xFract="0.24797512"
                           y3="0.00905"
                           yFract="0.00107227"
                           z3="4.22828"
                           zFract="0.19029163"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25169"
                           xFract="0.50375474"
                           y3="0.03763"
                           yFract="0.00445853"
                           z3="6.32771"
                           zFract="0.28477543"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3575"
                           xFract="0.75325829"
                           y3="2.12289"
                           yFract="0.25152725"
                           z3="6.39712"
                           zFract="0.28789919"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.40737"
                           xFract="0.75916706"
                           y3="4.11405"
                           yFract="0.48744668"
                           z3="8.63466"
                           zFract="0.38859856"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26563"
                           xFract="0.5054064"
                           y3="2.15321"
                           yFract="0.25511967"
                           z3="8.58173"
                           zFract="0.38621647"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42427"
                           xFract="0.99813626"
                           y3="6.31622"
                           yFract="0.7483673"
                           z3="4.26821"
                           zFract="0.19208866"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40038"
                           xFract="0.99530569"
                           y3="4.18631"
                           yFract="0.49600829"
                           z3="6.40762"
                           zFract="0.28837174"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21538"
                           xFract="0.49945261"
                           y3="2.11923"
                           yFract="0.2510936"
                           z3="4.21969"
                           zFract="0.18990504"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03278"
                           xFract="0.24085071"
                           y3="2.10024"
                           yFract="0.2488436"
                           z3="6.42037"
                           zFract="0.28894554"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3588"
                           xFract="0.75341232"
                           y3="4.21163"
                           yFract="0.49900829"
                           z3="4.25513"
                           zFract="0.1915"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34247"
                           xFract="0.51451066"
                           y3="6.31262"
                           yFract="0.74794076"
                           z3="8.50236"
                           zFract="0.38264446"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26559"
                           xFract="0.50540166"
                           y3="4.17849"
                           yFract="0.49508175"
                           z3="6.43172"
                           zFract="0.28945635"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16438"
                           xFract="0.25644313"
                           y3="-0.00643"
                           yFract="-0.00076185"
                           z3="8.45289"
                           zFract="0.38041809"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33116"
                           xFract="0.75013744"
                           y3="0.23681"
                           yFract="0.02805806"
                           z3="8.49564"
                           zFract="0.38234203"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27383"
                           xFract="0.98031161"
                           y3="2.0427"
                           yFract="0.24202607"
                           z3="6.22078"
                           zFract="0.2799631"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14964"
                           xFract="0.25469668"
                           y3="8.43282"
                           yFract="0.99914929"
                           z3="6.31757"
                           zFract="0.28431908"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00258"
                           xFract="-0.00030569"
                           y3="-0.0003"
                           yFract="-0.00003555"
                           z3="4.25554"
                           zFract="0.19151845"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36726"
                           xFract="0.99138152"
                           y3="0.15153"
                           yFract="0.01795379"
                           z3="8.41498"
                           zFract="0.37871197"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11971"
                           xFract="0.25115047"
                           y3="2.11705"
                           yFract="0.25083531"
                           z3="4.29305"
                           zFract="0.19320657"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.97961"
                           xFract="0.23455095"
                           y3="2.0197"
                           yFract="0.23930095"
                           z3="8.52842"
                           zFract="0.38381728"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39913"
                           xFract="0.52122393"
                           y3="2.10989"
                           yFract="0.24998697"
                           z3="6.28743"
                           zFract="0.28296265"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33112"
                           xFract="0.7501327"
                           y3="8.35257"
                           yFract="0.989641"
                           z3="6.31951"
                           zFract="0.28440639"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20914"
                           xFract="0.49871327"
                           y3="8.30889"
                           yFract="0.98446564"
                           z3="4.21134"
                           zFract="0.18952925"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33455"
                           xFract="0.51357227"
                           y3="0.0012"
                           yFract="0.00014218"
                           z3="8.48417"
                           zFract="0.38182583"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29279"
                           xFract="0.74559123"
                           y3="2.07474"
                           yFract="0.24582227"
                           z3="4.04767"
                           zFract="0.18216337"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69165"
                           xFract="0.79284953"
                           y3="2.21479"
                           yFract="0.26241588"
                           z3="9.0275"
                           zFract="0.40627813"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41054"
                           xFract="0.99650948"
                           y3="6.47201"
                           yFract="0.76682583"
                           z3="6.41393"
                           zFract="0.28865572"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94997"
                           xFract="0.2310391"
                           y3="4.25072"
                           yFract="0.50363981"
                           z3="6.45056"
                           zFract="0.29030423"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02279"
                           xFract="0.00270024"
                           y3="4.19859"
                           yFract="0.49746327"
                           z3="4.12266"
                           zFract="0.18553825"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.34303"
                           xFract="0.04064336"
                           y3="3.95691"
                           yFract="0.4688282"
                           z3="9.38398"
                           zFract="0.42232133"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19671"
                           xFract="0.2602737"
                           y3="6.32704"
                           yFract="0.74964929"
                           z3="4.29545"
                           zFract="0.19331458"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03957"
                           xFract="0.24165521"
                           y3="6.38823"
                           yFract="0.75689929"
                           z3="8.49758"
                           zFract="0.38242934"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22825"
                           xFract="0.50097749"
                           y3="6.34366"
                           yFract="0.75161848"
                           z3="6.29834"
                           zFract="0.28345365"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43008"
                           xFract="0.76185782"
                           y3="4.2947"
                           yFract="0.50885071"
                           z3="6.32541"
                           zFract="0.28467192"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19056"
                           xFract="0.49651185"
                           y3="4.38143"
                           yFract="0.51912678"
                           z3="4.29816"
                           zFract="0.19343654"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14296"
                           xFract="0.49087204"
                           y3="4.22537"
                           yFract="0.50063626"
                           z3="8.52417"
                           zFract="0.38362601"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1971"
                           xFract="0.73425355"
                           y3="6.36488"
                           yFract="0.7541327"
                           z3="4.23061"
                           zFract="0.19039649"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44336"
                           xFract="0.76343128"
                           y3="6.14982"
                           yFract="0.72865166"
                           z3="8.46537"
                           zFract="0.38097975"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.119">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1346"
                           xFract="0.01594787"
                           y3="4.05582"
                           yFract="0.48054739"
                           z3="10.33471"
                           zFract="0.46510846"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03416"
                           xFract="-0.00404739"
                           y3="6.43252"
                           yFract="0.76214692"
                           z3="8.49001"
                           zFract="0.38208866"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33363"
                           xFract="0.75043009"
                           y3="0.01221"
                           yFract="0.00144668"
                           z3="4.24911"
                           zFract="0.19122907"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.10463"
                           xFract="0.01239692"
                           y3="2.05392"
                           yFract="0.24335545"
                           z3="8.88997"
                           zFract="0.40008866"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35334"
                           xFract="0.7527654"
                           y3="6.3240"
                           yFract="0.7492891"
                           z3="6.38199"
                           zFract="0.28721827"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20182"
                           xFract="0.49784597"
                           y3="6.34095"
                           yFract="0.75129739"
                           z3="4.23608"
                           zFract="0.19064266"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41858"
                           xFract="0.99746209"
                           y3="0.05974"
                           yFract="0.0070782"
                           z3="6.36719"
                           zFract="0.28655221"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41482"
                           xFract="0.99701659"
                           y3="2.10619"
                           yFract="0.24954858"
                           z3="4.19558"
                           zFract="0.18881998"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14041"
                           xFract="0.25360308"
                           y3="4.2046"
                           yFract="0.49817536"
                           z3="8.50975"
                           zFract="0.38297705"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09026"
                           xFract="0.24766114"
                           y3="4.21307"
                           yFract="0.49917891"
                           z3="4.26696"
                           zFract="0.1920324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06892"
                           xFract="0.2451327"
                           y3="6.34718"
                           yFract="0.75203555"
                           z3="6.3904"
                           zFract="0.28759676"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09274"
                           xFract="0.24795498"
                           y3="0.00897"
                           yFract="0.0010628"
                           z3="4.22749"
                           zFract="0.19025608"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25202"
                           xFract="0.50379384"
                           y3="0.0374"
                           yFract="0.00443128"
                           z3="6.32876"
                           zFract="0.28482268"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35532"
                           xFract="0.7530"
                           y3="2.1235"
                           yFract="0.25159953"
                           z3="6.39532"
                           zFract="0.28781818"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.40948"
                           xFract="0.75941706"
                           y3="4.11419"
                           yFract="0.48746327"
                           z3="8.63491"
                           zFract="0.38860981"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26445"
                           xFract="0.50526659"
                           y3="2.15276"
                           yFract="0.25506635"
                           z3="8.58176"
                           zFract="0.38621782"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42381"
                           xFract="0.99808175"
                           y3="6.31571"
                           yFract="0.74830687"
                           z3="4.26797"
                           zFract="0.19207786"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.4003"
                           xFract="0.99529621"
                           y3="4.18715"
                           yFract="0.49610782"
                           z3="6.40814"
                           zFract="0.28839514"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21563"
                           xFract="0.49948223"
                           y3="2.11912"
                           yFract="0.25108057"
                           z3="4.22017"
                           zFract="0.18992664"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03314"
                           xFract="0.24089336"
                           y3="2.09981"
                           yFract="0.24879265"
                           z3="6.42014"
                           zFract="0.28893519"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35852"
                           xFract="0.75337915"
                           y3="4.21198"
                           yFract="0.49904976"
                           z3="4.25473"
                           zFract="0.191482"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34429"
                           xFract="0.5147263"
                           y3="6.3130"
                           yFract="0.74798578"
                           z3="8.50149"
                           zFract="0.38260531"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26612"
                           xFract="0.50546445"
                           y3="4.17815"
                           yFract="0.49504147"
                           z3="6.43155"
                           zFract="0.28944869"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16512"
                           xFract="0.25653081"
                           y3="-0.00653"
                           yFract="-0.0007737"
                           z3="8.45386"
                           zFract="0.38046175"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33073"
                           xFract="0.75008649"
                           y3="0.2422"
                           yFract="0.02869668"
                           z3="8.49515"
                           zFract="0.38231998"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27411"
                           xFract="0.98034479"
                           y3="2.04259"
                           yFract="0.24201303"
                           z3="6.22249"
                           zFract="0.28004005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15058"
                           xFract="0.25480806"
                           y3="8.43333"
                           yFract="0.99920972"
                           z3="6.31819"
                           zFract="0.28434698"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00307"
                           xFract="-0.00036374"
                           y3="-0.00044"
                           yFract="-0.00005213"
                           z3="4.25599"
                           zFract="0.1915387"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36688"
                           xFract="0.99133649"
                           y3="0.15167"
                           yFract="0.01797038"
                           z3="8.41524"
                           zFract="0.37872367"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11895"
                           xFract="0.25106043"
                           y3="2.11763"
                           yFract="0.25090403"
                           z3="4.29292"
                           zFract="0.19320072"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98043"
                           xFract="0.2346481"
                           y3="2.01752"
                           yFract="0.23904265"
                           z3="8.52836"
                           zFract="0.38381458"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39979"
                           xFract="0.52130213"
                           y3="2.11034"
                           yFract="0.25004028"
                           z3="6.28682"
                           zFract="0.28293519"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33057"
                           xFract="0.75006754"
                           y3="8.35291"
                           yFract="0.98968128"
                           z3="6.31957"
                           zFract="0.28440909"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2099"
                           xFract="0.49880332"
                           y3="8.30882"
                           yFract="0.98445735"
                           z3="4.21152"
                           zFract="0.18953735"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33499"
                           xFract="0.51362441"
                           y3="-0.00061"
                           yFract="-0.00007227"
                           z3="8.48342"
                           zFract="0.38179208"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29344"
                           xFract="0.74566825"
                           y3="2.0749"
                           yFract="0.24584123"
                           z3="4.04757"
                           zFract="0.18215887"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69277"
                           xFract="0.79298223"
                           y3="2.21633"
                           yFract="0.26259834"
                           z3="9.03064"
                           zFract="0.40641944"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41167"
                           xFract="0.99664336"
                           y3="6.47247"
                           yFract="0.76688033"
                           z3="6.41294"
                           zFract="0.28861116"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94963"
                           xFract="0.23099882"
                           y3="4.24904"
                           yFract="0.50344076"
                           z3="6.45034"
                           zFract="0.29029433"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02292"
                           xFract="0.00271564"
                           y3="4.19927"
                           yFract="0.49754384"
                           z3="4.12305"
                           zFract="0.18555581"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.34567"
                           xFract="0.04095616"
                           y3="3.95439"
                           yFract="0.46852962"
                           z3="9.38754"
                           zFract="0.42248155"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19713"
                           xFract="0.26032346"
                           y3="6.32659"
                           yFract="0.74959597"
                           z3="4.29518"
                           zFract="0.19330243"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03793"
                           xFract="0.2414609"
                           y3="6.38829"
                           yFract="0.7569064"
                           z3="8.49648"
                           zFract="0.38237984"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22771"
                           xFract="0.50091351"
                           y3="6.34293"
                           yFract="0.75153199"
                           z3="6.29838"
                           zFract="0.28345545"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43008"
                           xFract="0.76185782"
                           y3="4.29491"
                           yFract="0.50887559"
                           z3="6.32479"
                           zFract="0.28464401"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19024"
                           xFract="0.49647393"
                           y3="4.37948"
                           yFract="0.51889573"
                           z3="4.29826"
                           zFract="0.19344104"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14244"
                           xFract="0.49081043"
                           y3="4.2271"
                           yFract="0.50084123"
                           z3="8.52404"
                           zFract="0.38362016"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1958"
                           xFract="0.73409953"
                           y3="6.36494"
                           yFract="0.75413981"
                           z3="4.23123"
                           zFract="0.19042439"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44555"
                           xFract="0.76369076"
                           y3="6.14792"
                           yFract="0.72842654"
                           z3="8.46573"
                           zFract="0.38099595"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.120">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.13908"
                           xFract="0.01647867"
                           y3="4.0531"
                           yFract="0.48022512"
                           z3="10.3414"
                           zFract="0.46540954"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03438"
                           xFract="-0.00407346"
                           y3="6.43301"
                           yFract="0.76220498"
                           z3="8.49019"
                           zFract="0.38209676"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33546"
                           xFract="0.75064692"
                           y3="0.01047"
                           yFract="0.00124052"
                           z3="4.25051"
                           zFract="0.19129208"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11383"
                           xFract="0.01348697"
                           y3="2.05293"
                           yFract="0.24323815"
                           z3="8.89196"
                           zFract="0.40017822"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35455"
                           xFract="0.75290877"
                           y3="6.32388"
                           yFract="0.74927488"
                           z3="6.38246"
                           zFract="0.28723942"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20475"
                           xFract="0.49819313"
                           y3="6.34281"
                           yFract="0.75151777"
                           z3="4.23735"
                           zFract="0.19069982"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41885"
                           xFract="0.99749408"
                           y3="0.05836"
                           yFract="0.00691469"
                           z3="6.36603"
                           zFract="0.2865"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41637"
                           xFract="0.99720024"
                           y3="2.1064"
                           yFract="0.24957346"
                           z3="4.1931"
                           zFract="0.18870837"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14118"
                           xFract="0.25369431"
                           y3="4.20526"
                           yFract="0.49825355"
                           z3="8.51113"
                           zFract="0.38303915"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0895"
                           xFract="0.24757109"
                           y3="4.21195"
                           yFract="0.49904621"
                           z3="4.26631"
                           zFract="0.19200315"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06846"
                           xFract="0.2450782"
                           y3="6.3487"
                           yFract="0.75221564"
                           z3="6.39295"
                           zFract="0.28771152"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09241"
                           xFract="0.24791588"
                           y3="0.00883"
                           yFract="0.00104621"
                           z3="4.22593"
                           zFract="0.19018587"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25268"
                           xFract="0.50387204"
                           y3="0.03695"
                           yFract="0.00437796"
                           z3="6.33087"
                           zFract="0.28491764"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35097"
                           xFract="0.7524846"
                           y3="2.12473"
                           yFract="0.25174526"
                           z3="6.39173"
                           zFract="0.28765662"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.41369"
                           xFract="0.75991588"
                           y3="4.11446"
                           yFract="0.48749526"
                           z3="8.63541"
                           zFract="0.38863231"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26209"
                           xFract="0.50498697"
                           y3="2.15185"
                           yFract="0.25495853"
                           z3="8.58182"
                           zFract="0.38622052"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4229"
                           xFract="0.99797393"
                           y3="6.31468"
                           yFract="0.74818483"
                           z3="4.2675"
                           zFract="0.19205671"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40014"
                           xFract="0.99527725"
                           y3="4.18884"
                           yFract="0.49630806"
                           z3="6.40916"
                           zFract="0.28844104"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21613"
                           xFract="0.49954147"
                           y3="2.11889"
                           yFract="0.25105332"
                           z3="4.22114"
                           zFract="0.1899703"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03386"
                           xFract="0.24097867"
                           y3="2.09897"
                           yFract="0.24869313"
                           z3="6.41969"
                           zFract="0.28891494"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35797"
                           xFract="0.75331398"
                           y3="4.21267"
                           yFract="0.49913152"
                           z3="4.25393"
                           zFract="0.19144599"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34791"
                           xFract="0.51515521"
                           y3="6.31375"
                           yFract="0.74807464"
                           z3="8.49975"
                           zFract="0.382527"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26717"
                           xFract="0.50558886"
                           y3="4.17747"
                           yFract="0.4949609"
                           z3="6.4312"
                           zFract="0.28943294"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16659"
                           xFract="0.25670498"
                           y3="-0.00674"
                           yFract="-0.00079858"
                           z3="8.4558"
                           zFract="0.38054905"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32986"
                           xFract="0.74998341"
                           y3="0.25299"
                           yFract="0.02997512"
                           z3="8.49416"
                           zFract="0.38227543"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27466"
                           xFract="0.98040995"
                           y3="2.04236"
                           yFract="0.24198578"
                           z3="6.22591"
                           zFract="0.28019397"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15247"
                           xFract="0.25503199"
                           y3="8.43436"
                           yFract="0.99933175"
                           z3="6.31941"
                           zFract="0.28440189"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00403"
                           xFract="-0.00047749"
                           y3="-0.00072"
                           yFract="-0.00008531"
                           z3="4.25688"
                           zFract="0.19157876"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36611"
                           xFract="0.99124526"
                           y3="0.15195"
                           yFract="0.01800355"
                           z3="8.41575"
                           zFract="0.37874662"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11741"
                           xFract="0.25087796"
                           y3="2.11878"
                           yFract="0.25104028"
                           z3="4.29266"
                           zFract="0.19318902"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98207"
                           xFract="0.23484242"
                           y3="2.01314"
                           yFract="0.2385237"
                           z3="8.52824"
                           zFract="0.38380918"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4011"
                           xFract="0.52145735"
                           y3="2.11123"
                           yFract="0.25014573"
                           z3="6.28561"
                           zFract="0.28288074"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32945"
                           xFract="0.74993483"
                           y3="8.3536"
                           yFract="0.98976303"
                           z3="6.3197"
                           zFract="0.28441494"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21143"
                           xFract="0.4989846"
                           y3="8.30868"
                           yFract="0.98444076"
                           z3="4.21188"
                           zFract="0.18955356"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33587"
                           xFract="0.51372867"
                           y3="-0.00421"
                           yFract="-0.00049882"
                           z3="8.48191"
                           zFract="0.38172412"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29474"
                           xFract="0.74582227"
                           y3="2.0752"
                           yFract="0.24587678"
                           z3="4.04737"
                           zFract="0.18214986"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.6950"
                           xFract="0.79324645"
                           y3="2.2194"
                           yFract="0.26296209"
                           z3="9.03693"
                           zFract="0.40670252"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41394"
                           xFract="0.99691232"
                           y3="6.4734"
                           yFract="0.76699052"
                           z3="6.41097"
                           zFract="0.2885225"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94893"
                           xFract="0.23091588"
                           y3="4.24569"
                           yFract="0.50304384"
                           z3="6.44988"
                           zFract="0.29027363"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02318"
                           xFract="0.00274645"
                           y3="4.20062"
                           yFract="0.49770379"
                           z3="4.12383"
                           zFract="0.18559091"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.35097"
                           xFract="0.04158412"
                           y3="3.94935"
                           yFract="0.46793246"
                           z3="9.39466"
                           zFract="0.42280198"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19799"
                           xFract="0.26042536"
                           y3="6.32569"
                           yFract="0.74948934"
                           z3="4.29464"
                           zFract="0.19327813"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03464"
                           xFract="0.24107109"
                           y3="6.38842"
                           yFract="0.7569218"
                           z3="8.49429"
                           zFract="0.38228128"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22665"
                           xFract="0.50078791"
                           y3="6.34146"
                           yFract="0.75135782"
                           z3="6.29844"
                           zFract="0.28345815"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43007"
                           xFract="0.76185664"
                           y3="4.29533"
                           yFract="0.50892536"
                           z3="6.32355"
                           zFract="0.28458821"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1896"
                           xFract="0.4963981"
                           y3="4.37558"
                           yFract="0.51843365"
                           z3="4.29846"
                           zFract="0.19345005"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14139"
                           xFract="0.49068602"
                           y3="4.23057"
                           yFract="0.50125237"
                           z3="8.52377"
                           zFract="0.38360801"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1932"
                           xFract="0.73379147"
                           y3="6.36507"
                           yFract="0.75415521"
                           z3="4.23246"
                           zFract="0.19047975"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44994"
                           xFract="0.7642109"
                           y3="6.14412"
                           yFract="0.7279763"
                           z3="8.46644"
                           zFract="0.3810279"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.121">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.13778"
                           xFract="0.01632464"
                           y3="4.05389"
                           yFract="0.48031872"
                           z3="10.33946"
                           zFract="0.46532223"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03431"
                           xFract="-0.00406517"
                           y3="6.43287"
                           yFract="0.76218839"
                           z3="8.49014"
                           zFract="0.38209451"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33493"
                           xFract="0.75058412"
                           y3="0.01097"
                           yFract="0.00129976"
                           z3="4.2501"
                           zFract="0.19127363"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11115"
                           xFract="0.01316943"
                           y3="2.05322"
                           yFract="0.24327251"
                           z3="8.89138"
                           zFract="0.40015212"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3542"
                           xFract="0.7528673"
                           y3="6.32392"
                           yFract="0.74927962"
                           z3="6.38232"
                           zFract="0.28723312"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2039"
                           xFract="0.49809242"
                           y3="6.34227"
                           yFract="0.75145379"
                           z3="4.23698"
                           zFract="0.19068317"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41877"
                           xFract="0.9974846"
                           y3="0.05876"
                           yFract="0.00696209"
                           z3="6.36637"
                           zFract="0.2865153"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41592"
                           xFract="0.99714692"
                           y3="2.10634"
                           yFract="0.24956635"
                           z3="4.19382"
                           zFract="0.18874077"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14095"
                           xFract="0.25366706"
                           y3="4.20506"
                           yFract="0.49822986"
                           z3="8.51073"
                           zFract="0.38302115"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08972"
                           xFract="0.24759716"
                           y3="4.21228"
                           yFract="0.49908531"
                           z3="4.2665"
                           zFract="0.1920117"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06859"
                           xFract="0.2450936"
                           y3="6.34825"
                           yFract="0.75216232"
                           z3="6.39221"
                           zFract="0.28767822"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09251"
                           xFract="0.24792773"
                           y3="0.00887"
                           yFract="0.00105095"
                           z3="4.22638"
                           zFract="0.19020612"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25249"
                           xFract="0.50384953"
                           y3="0.03708"
                           yFract="0.00439336"
                           z3="6.33025"
                           zFract="0.28488974"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35224"
                           xFract="0.75263507"
                           y3="2.12437"
                           yFract="0.25170261"
                           z3="6.39277"
                           zFract="0.28770342"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.41246"
                           xFract="0.75977014"
                           y3="4.11438"
                           yFract="0.48748578"
                           z3="8.63527"
                           zFract="0.38862601"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26278"
                           xFract="0.50506872"
                           y3="2.15211"
                           yFract="0.25498934"
                           z3="8.5818"
                           zFract="0.38621962"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42316"
                           xFract="0.99800474"
                           y3="6.31498"
                           yFract="0.74822038"
                           z3="4.26764"
                           zFract="0.19206301"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40018"
                           xFract="0.99528199"
                           y3="4.18835"
                           yFract="0.49625"
                           z3="6.40886"
                           zFract="0.28842754"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21599"
                           xFract="0.49952488"
                           y3="2.11896"
                           yFract="0.25106161"
                           z3="4.22086"
                           zFract="0.1899577"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03365"
                           xFract="0.24095379"
                           y3="2.09921"
                           yFract="0.24872156"
                           z3="6.41982"
                           zFract="0.28892079"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35813"
                           xFract="0.75333294"
                           y3="4.21247"
                           yFract="0.49910782"
                           z3="4.25416"
                           zFract="0.19145635"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34686"
                           xFract="0.51503081"
                           y3="6.31353"
                           yFract="0.74804858"
                           z3="8.50026"
                           zFract="0.38254995"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26686"
                           xFract="0.50555213"
                           y3="4.17766"
                           yFract="0.49498341"
                           z3="6.4313"
                           zFract="0.28943744"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16616"
                           xFract="0.25665403"
                           y3="-0.00668"
                           yFract="-0.00079147"
                           z3="8.45523"
                           zFract="0.3805234"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33011"
                           xFract="0.75001303"
                           y3="0.24985"
                           yFract="0.02960308"
                           z3="8.49445"
                           zFract="0.38228848"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2745"
                           xFract="0.980391"
                           y3="2.04243"
                           yFract="0.24199408"
                           z3="6.22492"
                           zFract="0.28014941"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15192"
                           xFract="0.25496682"
                           y3="8.43406"
                           yFract="0.99929621"
                           z3="6.31906"
                           zFract="0.28438614"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00375"
                           xFract="-0.00044431"
                           y3="-0.00064"
                           yFract="-0.00007583"
                           z3="4.25662"
                           zFract="0.19156706"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36634"
                           xFract="0.99127251"
                           y3="0.15187"
                           yFract="0.01799408"
                           z3="8.4156"
                           zFract="0.37873987"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11786"
                           xFract="0.25093128"
                           y3="2.11845"
                           yFract="0.25100118"
                           z3="4.29274"
                           zFract="0.19319262"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9816"
                           xFract="0.23478673"
                           y3="2.01441"
                           yFract="0.23867417"
                           z3="8.52827"
                           zFract="0.38381053"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40072"
                           xFract="0.52141232"
                           y3="2.11097"
                           yFract="0.25011493"
                           z3="6.28596"
                           zFract="0.28289649"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32978"
                           xFract="0.74997393"
                           y3="8.3534"
                           yFract="0.98973934"
                           z3="6.31967"
                           zFract="0.28441359"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21099"
                           xFract="0.49893246"
                           y3="8.30872"
                           yFract="0.9844455"
                           z3="4.21177"
                           zFract="0.1895486"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33561"
                           xFract="0.51369787"
                           y3="-0.00316"
                           yFract="-0.00037441"
                           z3="8.48235"
                           zFract="0.38174392"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29437"
                           xFract="0.74577844"
                           y3="2.07511"
                           yFract="0.24586611"
                           z3="4.04743"
                           zFract="0.18215257"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69435"
                           xFract="0.79316943"
                           y3="2.21851"
                           yFract="0.26285664"
                           z3="9.0351"
                           zFract="0.40662016"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41328"
                           xFract="0.99683412"
                           y3="6.47313"
                           yFract="0.76695853"
                           z3="6.41154"
                           zFract="0.28854815"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94913"
                           xFract="0.23093957"
                           y3="4.24666"
                           yFract="0.50315877"
                           z3="6.45001"
                           zFract="0.29027948"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0231"
                           xFract="0.00273697"
                           y3="4.20023"
                           yFract="0.49765758"
                           z3="4.1236"
                           zFract="0.18558056"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.34943"
                           xFract="0.04140166"
                           y3="3.95081"
                           yFract="0.46810545"
                           z3="9.39259"
                           zFract="0.42270882"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19774"
                           xFract="0.26039573"
                           y3="6.32595"
                           yFract="0.74952014"
                           z3="4.2948"
                           zFract="0.19328533"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03559"
                           xFract="0.24118365"
                           y3="6.38838"
                           yFract="0.75691706"
                           z3="8.49492"
                           zFract="0.38230963"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22696"
                           xFract="0.50082464"
                           y3="6.34189"
                           yFract="0.75140877"
                           z3="6.29842"
                           zFract="0.28345725"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43008"
                           xFract="0.76185782"
                           y3="4.29521"
                           yFract="0.50891114"
                           z3="6.32391"
                           zFract="0.28460441"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18978"
                           xFract="0.49641943"
                           y3="4.37671"
                           yFract="0.51856754"
                           z3="4.2984"
                           zFract="0.19344734"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1417"
                           xFract="0.49072275"
                           y3="4.22957"
                           yFract="0.50113389"
                           z3="8.52385"
                           zFract="0.38361161"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19396"
                           xFract="0.73388152"
                           y3="6.36503"
                           yFract="0.75415047"
                           z3="4.2321"
                           zFract="0.19046355"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44866"
                           xFract="0.76405924"
                           y3="6.14522"
                           yFract="0.72810664"
                           z3="8.46623"
                           zFract="0.38101845"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.122">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.13989"
                           xFract="0.01657464"
                           y3="4.05258"
                           yFract="0.48016351"
                           z3="10.33992"
                           zFract="0.46534293"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0341"
                           xFract="-0.00404028"
                           y3="6.43314"
                           yFract="0.76222038"
                           z3="8.49026"
                           zFract="0.38209991"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33521"
                           xFract="0.7506173"
                           y3="0.01066"
                           yFract="0.00126303"
                           z3="4.25032"
                           zFract="0.19128353"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11216"
                           xFract="0.0132891"
                           y3="2.05327"
                           yFract="0.24327844"
                           z3="8.89269"
                           zFract="0.40021107"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35423"
                           xFract="0.75287085"
                           y3="6.32387"
                           yFract="0.7492737"
                           z3="6.38258"
                           zFract="0.28724482"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20433"
                           xFract="0.49814336"
                           y3="6.3418"
                           yFract="0.7513981"
                           z3="4.23736"
                           zFract="0.19070027"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41886"
                           xFract="0.99749526"
                           y3="0.05954"
                           yFract="0.0070545"
                           z3="6.36692"
                           zFract="0.28654005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41614"
                           xFract="0.99717299"
                           y3="2.10651"
                           yFract="0.24958649"
                           z3="4.19474"
                           zFract="0.18878218"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14067"
                           xFract="0.25363389"
                           y3="4.20542"
                           yFract="0.49827251"
                           z3="8.51109"
                           zFract="0.38303735"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0897"
                           xFract="0.24759479"
                           y3="4.21219"
                           yFract="0.49907464"
                           z3="4.26649"
                           zFract="0.19201125"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06875"
                           xFract="0.24511256"
                           y3="6.34822"
                           yFract="0.75215877"
                           z3="6.39252"
                           zFract="0.28769217"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09279"
                           xFract="0.2479609"
                           y3="0.0087"
                           yFract="0.00103081"
                           z3="4.22633"
                           zFract="0.19020387"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25253"
                           xFract="0.50385427"
                           y3="0.03681"
                           yFract="0.00436137"
                           z3="6.33045"
                           zFract="0.28489874"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35198"
                           xFract="0.75260427"
                           y3="2.12478"
                           yFract="0.25175118"
                           z3="6.39146"
                           zFract="0.28764446"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.41415"
                           xFract="0.75997038"
                           y3="4.11434"
                           yFract="0.48748104"
                           z3="8.63566"
                           zFract="0.38864356"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26197"
                           xFract="0.50497275"
                           y3="2.15226"
                           yFract="0.25500711"
                           z3="8.58174"
                           zFract="0.38621692"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42303"
                           xFract="0.99798934"
                           y3="6.31446"
                           yFract="0.74815877"
                           z3="4.26737"
                           zFract="0.19205086"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40005"
                           xFract="0.99526659"
                           y3="4.18862"
                           yFract="0.49628199"
                           z3="6.40925"
                           zFract="0.28844509"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21613"
                           xFract="0.49954147"
                           y3="2.1187"
                           yFract="0.25103081"
                           z3="4.2208"
                           zFract="0.189955"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03373"
                           xFract="0.24096327"
                           y3="2.09891"
                           yFract="0.24868602"
                           z3="6.41954"
                           zFract="0.28890819"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35799"
                           xFract="0.75331635"
                           y3="4.21261"
                           yFract="0.49912441"
                           z3="4.25391"
                           zFract="0.19144509"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.34835"
                           xFract="0.51520735"
                           y3="6.31352"
                           yFract="0.74804739"
                           z3="8.49947"
                           zFract="0.3825144"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2670"
                           xFract="0.50556872"
                           y3="4.17779"
                           yFract="0.49499882"
                           z3="6.43133"
                           zFract="0.28943879"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16654"
                           xFract="0.25669905"
                           y3="-0.00778"
                           yFract="-0.0009218"
                           z3="8.45597"
                           zFract="0.38055671"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33008"
                           xFract="0.75000948"
                           y3="0.2541"
                           yFract="0.03010664"
                           z3="8.49413"
                           zFract="0.38227408"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27428"
                           xFract="0.98036493"
                           y3="2.0421"
                           yFract="0.24195498"
                           z3="6.22476"
                           zFract="0.28014221"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15232"
                           xFract="0.25501422"
                           y3="8.43444"
                           yFract="0.99934123"
                           z3="6.31868"
                           zFract="0.28436904"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00361"
                           xFract="-0.00042773"
                           y3="-0.00071"
                           yFract="-0.00008412"
                           z3="4.25684"
                           zFract="0.19157696"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36625"
                           xFract="0.99126185"
                           y3="0.1516"
                           yFract="0.01796209"
                           z3="8.41533"
                           zFract="0.37872772"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11718"
                           xFract="0.25085071"
                           y3="2.11804"
                           yFract="0.25095261"
                           z3="4.29229"
                           zFract="0.19317237"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9832"
                           xFract="0.2349763"
                           y3="2.01362"
                           yFract="0.23858057"
                           z3="8.52848"
                           zFract="0.38381998"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40068"
                           xFract="0.52140758"
                           y3="2.11081"
                           yFract="0.25009597"
                           z3="6.28571"
                           zFract="0.28288524"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32992"
                           xFract="0.74999052"
                           y3="8.35362"
                           yFract="0.9897654"
                           z3="6.32004"
                           zFract="0.28443024"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21114"
                           xFract="0.49895024"
                           y3="8.30914"
                           yFract="0.98449526"
                           z3="4.21199"
                           zFract="0.18955851"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33602"
                           xFract="0.51374645"
                           y3="-0.00438"
                           yFract="-0.00051896"
                           z3="8.48204"
                           zFract="0.38172997"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29514"
                           xFract="0.74586967"
                           y3="2.07503"
                           yFract="0.24585664"
                           z3="4.0473"
                           zFract="0.18214671"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69626"
                           xFract="0.79339573"
                           y3="2.21939"
                           yFract="0.2629609"
                           z3="9.0371"
                           zFract="0.40671017"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41379"
                           xFract="0.99689455"
                           y3="6.4732"
                           yFract="0.76696682"
                           z3="6.41065"
                           zFract="0.2885081"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94878"
                           xFract="0.2308981"
                           y3="4.24565"
                           yFract="0.5030391"
                           z3="6.4501"
                           zFract="0.29028353"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02294"
                           xFract="0.00271801"
                           y3="4.20053"
                           yFract="0.49769313"
                           z3="4.12345"
                           zFract="0.18557381"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.35114"
                           xFract="0.04160427"
                           y3="3.94935"
                           yFract="0.46793246"
                           z3="9.39692"
                           zFract="0.42290369"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19824"
                           xFract="0.26045498"
                           y3="6.32591"
                           yFract="0.7495154"
                           z3="4.29485"
                           zFract="0.19328758"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03415"
                           xFract="0.24101303"
                           y3="6.38848"
                           yFract="0.75692891"
                           z3="8.49442"
                           zFract="0.38228713"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22681"
                           xFract="0.50080687"
                           y3="6.34156"
                           yFract="0.75136967"
                           z3="6.29835"
                           zFract="0.2834541"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43025"
                           xFract="0.76187796"
                           y3="4.29545"
                           yFract="0.50893957"
                           z3="6.32366"
                           zFract="0.28459316"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18962"
                           xFract="0.49640047"
                           y3="4.37594"
                           yFract="0.5184763"
                           z3="4.29828"
                           zFract="0.19344194"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14182"
                           xFract="0.49073697"
                           y3="4.2304"
                           yFract="0.50123223"
                           z3="8.52366"
                           zFract="0.38360306"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19328"
                           xFract="0.73380095"
                           y3="6.36487"
                           yFract="0.75413152"
                           z3="4.23235"
                           zFract="0.1904748"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.44988"
                           xFract="0.76420379"
                           y3="6.1442"
                           yFract="0.72798578"
                           z3="8.46626"
                           zFract="0.3810198"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.123">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.14439"
                           xFract="0.01710782"
                           y3="4.0498"
                           yFract="0.47983412"
                           z3="10.34092"
                           zFract="0.46538794"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03363"
                           xFract="-0.0039846"
                           y3="6.43371"
                           yFract="0.76228791"
                           z3="8.49053"
                           zFract="0.38211206"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33582"
                           xFract="0.75068957"
                           y3="0.00999"
                           yFract="0.00118365"
                           z3="4.2508"
                           zFract="0.19130513"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.1143"
                           xFract="0.01354265"
                           y3="2.05338"
                           yFract="0.24329147"
                           z3="8.89548"
                           zFract="0.40033663"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3543"
                           xFract="0.75287915"
                           y3="6.32376"
                           yFract="0.74926066"
                           z3="6.38313"
                           zFract="0.28726958"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20524"
                           xFract="0.49825118"
                           y3="6.34081"
                           yFract="0.75128081"
                           z3="4.23815"
                           zFract="0.19073582"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41904"
                           xFract="0.99751659"
                           y3="0.06121"
                           yFract="0.00725237"
                           z3="6.36811"
                           zFract="0.28659361"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41662"
                           xFract="0.99722986"
                           y3="2.10688"
                           yFract="0.24963033"
                           z3="4.1967"
                           zFract="0.18887039"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14008"
                           xFract="0.25356398"
                           y3="4.20618"
                           yFract="0.49836256"
                           z3="8.51187"
                           zFract="0.38307246"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08966"
                           xFract="0.24759005"
                           y3="4.21201"
                           yFract="0.49905332"
                           z3="4.26647"
                           zFract="0.19201035"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0691"
                           xFract="0.24515403"
                           y3="6.34814"
                           yFract="0.75214929"
                           z3="6.39317"
                           zFract="0.28772142"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09341"
                           xFract="0.24803436"
                           y3="0.00835"
                           yFract="0.00098934"
                           z3="4.2262"
                           zFract="0.19019802"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25261"
                           xFract="0.50386374"
                           y3="0.03623"
                           yFract="0.00429265"
                           z3="6.33087"
                           zFract="0.28491764"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35142"
                           xFract="0.75253791"
                           y3="2.12566"
                           yFract="0.25185545"
                           z3="6.38866"
                           zFract="0.28751845"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.41776"
                           xFract="0.7603981"
                           y3="4.11423"
                           yFract="0.48746801"
                           z3="8.63651"
                           zFract="0.38868182"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26025"
                           xFract="0.50476896"
                           y3="2.15258"
                           yFract="0.25504502"
                           z3="8.5816"
                           zFract="0.38621062"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42276"
                           xFract="0.99795735"
                           y3="6.31335"
                           yFract="0.74802725"
                           z3="4.2668"
                           zFract="0.1920252"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39976"
                           xFract="0.99523223"
                           y3="4.18921"
                           yFract="0.4963519"
                           z3="6.41006"
                           zFract="0.28848155"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21642"
                           xFract="0.49957583"
                           y3="2.11816"
                           yFract="0.25096682"
                           z3="4.22067"
                           zFract="0.18994914"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0339"
                           xFract="0.24098341"
                           y3="2.09826"
                           yFract="0.248609"
                           z3="6.41894"
                           zFract="0.28888119"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3577"
                           xFract="0.75328199"
                           y3="4.21291"
                           yFract="0.49915995"
                           z3="4.25337"
                           zFract="0.19142079"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.35153"
                           xFract="0.51558412"
                           y3="6.31351"
                           yFract="0.74804621"
                           z3="8.4978"
                           zFract="0.38243924"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26731"
                           xFract="0.50560545"
                           y3="4.17805"
                           yFract="0.49502962"
                           z3="6.43138"
                           zFract="0.28944104"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16734"
                           xFract="0.25679384"
                           y3="-0.01013"
                           yFract="-0.00120024"
                           z3="8.45755"
                           zFract="0.38062781"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33001"
                           xFract="0.75000118"
                           y3="0.26317"
                           yFract="0.03118128"
                           z3="8.49345"
                           zFract="0.38224347"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27379"
                           xFract="0.98030687"
                           y3="2.04141"
                           yFract="0.24187322"
                           z3="6.22443"
                           zFract="0.28012736"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15316"
                           xFract="0.25511374"
                           y3="8.43525"
                           yFract="0.9994372"
                           z3="6.31788"
                           zFract="0.28433303"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00333"
                           xFract="-0.00039455"
                           y3="-0.00086"
                           yFract="-0.0001019"
                           z3="4.25732"
                           zFract="0.19159856"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36605"
                           xFract="0.99123815"
                           y3="0.15101"
                           yFract="0.01789218"
                           z3="8.41476"
                           zFract="0.37870207"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11574"
                           xFract="0.25068009"
                           y3="2.11715"
                           yFract="0.25084716"
                           z3="4.29135"
                           zFract="0.19313006"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98662"
                           xFract="0.23538152"
                           y3="2.01193"
                           yFract="0.23838033"
                           z3="8.52893"
                           zFract="0.38384023"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4006"
                           xFract="0.5213981"
                           y3="2.11047"
                           yFract="0.25005569"
                           z3="6.28518"
                           zFract="0.28286139"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33024"
                           xFract="0.75002844"
                           y3="8.35409"
                           yFract="0.98982109"
                           z3="6.32084"
                           zFract="0.28446625"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21147"
                           xFract="0.49898934"
                           y3="8.31004"
                           yFract="0.9846019"
                           z3="4.21246"
                           zFract="0.18957966"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3369"
                           xFract="0.51385071"
                           y3="-0.0070"
                           yFract="-0.00082938"
                           z3="8.48139"
                           zFract="0.38170072"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29678"
                           xFract="0.74606398"
                           y3="2.07484"
                           yFract="0.24583412"
                           z3="4.04702"
                           zFract="0.18213411"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.70033"
                           xFract="0.79387796"
                           y3="2.22126"
                           yFract="0.26318246"
                           z3="9.04137"
                           zFract="0.40690234"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41489"
                           xFract="0.99702488"
                           y3="6.47335"
                           yFract="0.7669846"
                           z3="6.40874"
                           zFract="0.28842214"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94801"
                           xFract="0.23080687"
                           y3="4.24349"
                           yFract="0.50278318"
                           z3="6.45029"
                           zFract="0.29029208"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0226"
                           xFract="0.00267773"
                           y3="4.20117"
                           yFract="0.49776896"
                           z3="4.12312"
                           zFract="0.18555896"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.35479"
                           xFract="0.04203673"
                           y3="3.94621"
                           yFract="0.46756043"
                           z3="9.40618"
                           zFract="0.42332043"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19932"
                           xFract="0.26058294"
                           y3="6.32582"
                           yFract="0.74950474"
                           z3="4.29495"
                           zFract="0.19329208"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03106"
                           xFract="0.24064692"
                           y3="6.3887"
                           yFract="0.75695498"
                           z3="8.49336"
                           zFract="0.38223942"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2265"
                           xFract="0.50077014"
                           y3="6.34087"
                           yFract="0.75128791"
                           z3="6.2982"
                           zFract="0.28344734"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43062"
                           xFract="0.7619218"
                           y3="4.29597"
                           yFract="0.50900118"
                           z3="6.32311"
                           zFract="0.28456841"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18929"
                           xFract="0.49636137"
                           y3="4.37427"
                           yFract="0.51827844"
                           z3="4.29801"
                           zFract="0.19342979"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14207"
                           xFract="0.49076659"
                           y3="4.23218"
                           yFract="0.50144313"
                           z3="8.52326"
                           zFract="0.38358506"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19183"
                           xFract="0.73362915"
                           y3="6.36453"
                           yFract="0.75409123"
                           z3="4.23286"
                           zFract="0.19049775"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.45248"
                           xFract="0.76451185"
                           y3="6.14202"
                           yFract="0.72772749"
                           z3="8.4663"
                           zFract="0.3810216"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.124">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.14234"
                           xFract="0.01686493"
                           y3="4.05107"
                           yFract="0.4799846"
                           z3="10.34047"
                           zFract="0.46536769"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03384"
                           xFract="-0.00400948"
                           y3="6.43345"
                           yFract="0.76225711"
                           z3="8.49041"
                           zFract="0.38210666"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33554"
                           xFract="0.7506564"
                           y3="0.01029"
                           yFract="0.00121919"
                           z3="4.25058"
                           zFract="0.19129523"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11333"
                           xFract="0.01342773"
                           y3="2.05333"
                           yFract="0.24328555"
                           z3="8.89421"
                           zFract="0.40027948"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35427"
                           xFract="0.75287559"
                           y3="6.32381"
                           yFract="0.74926659"
                           z3="6.38288"
                           zFract="0.28725833"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20483"
                           xFract="0.49820261"
                           y3="6.34126"
                           yFract="0.75133412"
                           z3="4.23779"
                           zFract="0.19071962"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41896"
                           xFract="0.99750711"
                           y3="0.06045"
                           yFract="0.00716232"
                           z3="6.36757"
                           zFract="0.28656931"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4164"
                           xFract="0.99720379"
                           y3="2.10672"
                           yFract="0.24961137"
                           z3="4.19581"
                           zFract="0.18883033"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14035"
                           xFract="0.25359597"
                           y3="4.20584"
                           yFract="0.49832227"
                           z3="8.51151"
                           zFract="0.38305626"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08968"
                           xFract="0.24759242"
                           y3="4.21209"
                           yFract="0.4990628"
                           z3="4.26648"
                           zFract="0.1920108"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06894"
                           xFract="0.24513507"
                           y3="6.34818"
                           yFract="0.75215403"
                           z3="6.39287"
                           zFract="0.28770792"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09313"
                           xFract="0.24800118"
                           y3="0.00851"
                           yFract="0.00100829"
                           z3="4.22626"
                           zFract="0.19020072"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25257"
                           xFract="0.503859"
                           y3="0.0365"
                           yFract="0.00432464"
                           z3="6.33068"
                           zFract="0.28490909"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35168"
                           xFract="0.75256872"
                           y3="2.12526"
                           yFract="0.25180806"
                           z3="6.38993"
                           zFract="0.28757561"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.41612"
                           xFract="0.76020379"
                           y3="4.11428"
                           yFract="0.48747393"
                           z3="8.63612"
                           zFract="0.38866427"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.26104"
                           xFract="0.50486256"
                           y3="2.15244"
                           yFract="0.25502844"
                           z3="8.58166"
                           zFract="0.38621332"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42289"
                           xFract="0.99797275"
                           y3="6.31385"
                           yFract="0.74808649"
                           z3="4.26706"
                           zFract="0.1920369"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39989"
                           xFract="0.99524763"
                           y3="4.18894"
                           yFract="0.49631991"
                           z3="6.40969"
                           zFract="0.2884649"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21629"
                           xFract="0.49956043"
                           y3="2.11841"
                           yFract="0.25099645"
                           z3="4.22073"
                           zFract="0.18995185"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03382"
                           xFract="0.24097393"
                           y3="2.09855"
                           yFract="0.24864336"
                           z3="6.41921"
                           zFract="0.28889334"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35784"
                           xFract="0.75329858"
                           y3="4.21278"
                           yFract="0.49914455"
                           z3="4.25361"
                           zFract="0.19143159"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.35008"
                           xFract="0.51541232"
                           y3="6.31352"
                           yFract="0.74804739"
                           z3="8.49856"
                           zFract="0.38247345"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26717"
                           xFract="0.50558886"
                           y3="4.17793"
                           yFract="0.4950154"
                           z3="6.43135"
                           zFract="0.28943969"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16697"
                           xFract="0.25675"
                           y3="-0.00906"
                           yFract="-0.00107346"
                           z3="8.45683"
                           zFract="0.38059541"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33004"
                           xFract="0.75000474"
                           y3="0.25904"
                           yFract="0.03069194"
                           z3="8.49376"
                           zFract="0.38225743"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27401"
                           xFract="0.98033294"
                           y3="2.04173"
                           yFract="0.24191114"
                           z3="6.22458"
                           zFract="0.28013411"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15278"
                           xFract="0.25506872"
                           y3="8.43488"
                           yFract="0.99939336"
                           z3="6.31825"
                           zFract="0.28434968"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00346"
                           xFract="-0.00040995"
                           y3="-0.00079"
                           yFract="-0.0000936"
                           z3="4.2571"
                           zFract="0.19158866"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36614"
                           xFract="0.99124882"
                           y3="0.15127"
                           yFract="0.01792299"
                           z3="8.41502"
                           zFract="0.37871377"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1164"
                           xFract="0.25075829"
                           y3="2.11755"
                           yFract="0.25089455"
                           z3="4.29178"
                           zFract="0.19314941"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98506"
                           xFract="0.23519668"
                           y3="2.0127"
                           yFract="0.23847156"
                           z3="8.52873"
                           zFract="0.38383123"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40064"
                           xFract="0.52140284"
                           y3="2.11063"
                           yFract="0.25007464"
                           z3="6.28542"
                           zFract="0.28287219"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3301"
                           xFract="0.75001185"
                           y3="8.35387"
                           yFract="0.98979502"
                           z3="6.32047"
                           zFract="0.28444959"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21132"
                           xFract="0.49897156"
                           y3="8.30963"
                           yFract="0.98455332"
                           z3="4.21225"
                           zFract="0.18957021"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3365"
                           xFract="0.51380332"
                           y3="-0.00581"
                           yFract="-0.00068839"
                           z3="8.48169"
                           zFract="0.38171422"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29603"
                           xFract="0.74597512"
                           y3="2.07493"
                           yFract="0.24584479"
                           z3="4.04715"
                           zFract="0.18213996"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69847"
                           xFract="0.79365758"
                           y3="2.22041"
                           yFract="0.26308175"
                           z3="9.03942"
                           zFract="0.40681458"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41439"
                           xFract="0.99696564"
                           y3="6.47328"
                           yFract="0.7669763"
                           z3="6.40961"
                           zFract="0.2884613"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94836"
                           xFract="0.23084834"
                           y3="4.24448"
                           yFract="0.50290047"
                           z3="6.4502"
                           zFract="0.29028803"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02276"
                           xFract="0.00269668"
                           y3="4.20088"
                           yFract="0.4977346"
                           z3="4.12327"
                           zFract="0.18556571"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.35313"
                           xFract="0.04184005"
                           y3="3.94764"
                           yFract="0.46772986"
                           z3="9.40196"
                           zFract="0.42313051"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19883"
                           xFract="0.26052488"
                           y3="6.32586"
                           yFract="0.74950948"
                           z3="4.2949"
                           zFract="0.19328983"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03247"
                           xFract="0.24081398"
                           y3="6.3886"
                           yFract="0.75694313"
                           z3="8.49384"
                           zFract="0.38226103"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22664"
                           xFract="0.50078673"
                           y3="6.34119"
                           yFract="0.75132583"
                           z3="6.29827"
                           zFract="0.2834505"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43045"
                           xFract="0.76190166"
                           y3="4.29573"
                           yFract="0.50897275"
                           z3="6.32336"
                           zFract="0.28457966"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18944"
                           xFract="0.49637915"
                           y3="4.37503"
                           yFract="0.51836848"
                           z3="4.29813"
                           zFract="0.19343519"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14196"
                           xFract="0.49075355"
                           y3="4.23137"
                           yFract="0.50134716"
                           z3="8.52344"
                           zFract="0.38359316"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19249"
                           xFract="0.73370735"
                           y3="6.36469"
                           yFract="0.75411019"
                           z3="4.23263"
                           zFract="0.1904874"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4513"
                           xFract="0.76437204"
                           y3="6.14301"
                           yFract="0.72784479"
                           z3="8.46628"
                           zFract="0.3810207"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.125">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.14301"
                           xFract="0.01694431"
                           y3="4.05061"
                           yFract="0.47993009"
                           z3="10.34145"
                           zFract="0.46541179"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03376"
                           xFract="-0.0040"
                           y3="6.43357"
                           yFract="0.76227133"
                           z3="8.49044"
                           zFract="0.38210801"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33561"
                           xFract="0.75066469"
                           y3="0.01022"
                           yFract="0.0012109"
                           z3="4.25064"
                           zFract="0.19129793"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11356"
                           xFract="0.01345498"
                           y3="2.05337"
                           yFract="0.24329028"
                           z3="8.89479"
                           zFract="0.40030558"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35426"
                           xFract="0.75287441"
                           y3="6.3238"
                           yFract="0.7492654"
                           z3="6.3830"
                           zFract="0.28726373"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20488"
                           xFract="0.49820853"
                           y3="6.34099"
                           yFract="0.75130213"
                           z3="4.23789"
                           zFract="0.19072412"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41899"
                           xFract="0.99751066"
                           y3="0.06083"
                           yFract="0.00720735"
                           z3="6.36785"
                           zFract="0.28658191"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41646"
                           xFract="0.9972109"
                           y3="2.10679"
                           yFract="0.24961967"
                           z3="4.19629"
                           zFract="0.18885194"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14018"
                           xFract="0.25357583"
                           y3="4.20598"
                           yFract="0.49833886"
                           z3="8.51166"
                           zFract="0.38306301"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08969"
                           xFract="0.2475936"
                           y3="4.21208"
                           yFract="0.49906161"
                           z3="4.2665"
                           zFract="0.1920117"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06903"
                           xFract="0.24514573"
                           y3="6.3481"
                           yFract="0.75214455"
                           z3="6.39291"
                           zFract="0.28770972"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09327"
                           xFract="0.24801777"
                           y3="0.00844"
                           yFract="0.0010"
                           z3="4.22629"
                           zFract="0.19020207"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25258"
                           xFract="0.50386019"
                           y3="0.03639"
                           yFract="0.00431161"
                           z3="6.33069"
                           zFract="0.28490954"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3517"
                           xFract="0.75257109"
                           y3="2.12542"
                           yFract="0.25182701"
                           z3="6.38941"
                           zFract="0.28755221"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.41683"
                           xFract="0.76028791"
                           y3="4.11425"
                           yFract="0.48747038"
                           z3="8.63629"
                           zFract="0.38867192"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2607"
                           xFract="0.50482227"
                           y3="2.15255"
                           yFract="0.25504147"
                           z3="8.58162"
                           zFract="0.38621152"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42286"
                           xFract="0.99796919"
                           y3="6.31366"
                           yFract="0.74806398"
                           z3="4.26696"
                           zFract="0.1920324"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39983"
                           xFract="0.99524052"
                           y3="4.18902"
                           yFract="0.49632938"
                           z3="6.40985"
                           zFract="0.2884721"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21633"
                           xFract="0.49956517"
                           y3="2.11829"
                           yFract="0.25098223"
                           z3="4.22067"
                           zFract="0.18994914"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03384"
                           xFract="0.2409763"
                           y3="2.09843"
                           yFract="0.24862915"
                           z3="6.4191"
                           zFract="0.28888839"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35779"
                           xFract="0.75329265"
                           y3="4.21281"
                           yFract="0.4991481"
                           z3="4.25352"
                           zFract="0.19142754"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.35073"
                           xFract="0.51548934"
                           y3="6.31348"
                           yFract="0.74804265"
                           z3="8.49825"
                           zFract="0.3824595"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2672"
                           xFract="0.50559242"
                           y3="4.17799"
                           yFract="0.49502251"
                           z3="6.43139"
                           zFract="0.28944149"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1671"
                           xFract="0.2567654"
                           y3="-0.00957"
                           yFract="-0.00113389"
                           z3="8.45711"
                           zFract="0.38060801"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33004"
                           xFract="0.75000474"
                           y3="0.26077"
                           yFract="0.03089692"
                           z3="8.49362"
                           zFract="0.38225113"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27388"
                           xFract="0.98031754"
                           y3="2.04161"
                           yFract="0.24189692"
                           z3="6.22444"
                           zFract="0.28012781"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1529"
                           xFract="0.25508294"
                           y3="8.43503"
                           yFract="0.99941114"
                           z3="6.31806"
                           zFract="0.28434113"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00337"
                           xFract="-0.00039929"
                           y3="-0.00084"
                           yFract="-0.00009953"
                           z3="4.25719"
                           zFract="0.19159271"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36613"
                           xFract="0.99124763"
                           y3="0.15117"
                           yFract="0.01791114"
                           z3="8.41488"
                           zFract="0.37870747"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11612"
                           xFract="0.25072512"
                           y3="2.11735"
                           yFract="0.25087085"
                           z3="4.29157"
                           zFract="0.19313996"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98575"
                           xFract="0.23527844"
                           y3="2.01246"
                           yFract="0.23844313"
                           z3="8.52884"
                           zFract="0.38383618"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40059"
                           xFract="0.52139692"
                           y3="2.11053"
                           yFract="0.2500628"
                           z3="6.28536"
                           zFract="0.28286949"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3302"
                           xFract="0.7500237"
                           y3="8.35395"
                           yFract="0.9898045"
                           z3="6.32065"
                           zFract="0.2844577"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21136"
                           xFract="0.4989763"
                           y3="8.30981"
                           yFract="0.98457464"
                           z3="4.21234"
                           zFract="0.18957426"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33668"
                           xFract="0.51382464"
                           y3="-0.0063"
                           yFract="-0.00074645"
                           z3="8.48159"
                           zFract="0.38170972"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29639"
                           xFract="0.74601777"
                           y3="2.07487"
                           yFract="0.24583768"
                           z3="4.04708"
                           zFract="0.18213681"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.69933"
                           xFract="0.79375948"
                           y3="2.22076"
                           yFract="0.26312322"
                           z3="9.04023"
                           zFract="0.40685104"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41455"
                           xFract="0.9969846"
                           y3="6.4733"
                           yFract="0.76697867"
                           z3="6.40925"
                           zFract="0.28844509"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94821"
                           xFract="0.23083057"
                           y3="4.24411"
                           yFract="0.50285664"
                           z3="6.45026"
                           zFract="0.29029073"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02268"
                           xFract="0.0026872"
                           y3="4.20098"
                           yFract="0.49774645"
                           z3="4.12318"
                           zFract="0.18556166"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.35407"
                           xFract="0.04195142"
                           y3="3.94696"
                           yFract="0.46764929"
                           z3="9.40289"
                           zFract="0.42317237"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19907"
                           xFract="0.26055332"
                           y3="6.32585"
                           yFract="0.74950829"
                           z3="4.29494"
                           zFract="0.19329163"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03187"
                           xFract="0.24074289"
                           y3="6.38863"
                           yFract="0.75694668"
                           z3="8.49367"
                           zFract="0.38225338"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2266"
                           xFract="0.50078199"
                           y3="6.34108"
                           yFract="0.7513128"
                           z3="6.29824"
                           zFract="0.28344914"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43052"
                           xFract="0.76190995"
                           y3="4.29583"
                           yFract="0.5089846"
                           z3="6.32328"
                           zFract="0.28457606"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18939"
                           xFract="0.49637322"
                           y3="4.37478"
                           yFract="0.51833886"
                           z3="4.29808"
                           zFract="0.19343294"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14203"
                           xFract="0.49076185"
                           y3="4.23166"
                           yFract="0.50138152"
                           z3="8.52336"
                           zFract="0.38358956"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19227"
                           xFract="0.73368128"
                           y3="6.3646"
                           yFract="0.75409953"
                           z3="4.2327"
                           zFract="0.19049055"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.45176"
                           xFract="0.76442654"
                           y3="6.14261"
                           yFract="0.72779739"
                           z3="8.46627"
                           zFract="0.38102025"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.126">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.14504"
                           xFract="0.01718483"
                           y3="4.04922"
                           yFract="0.4797654"
                           z3="10.34439"
                           zFract="0.4655441"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03349"
                           xFract="-0.00396801"
                           y3="6.43394"
                           yFract="0.76231517"
                           z3="8.49055"
                           zFract="0.38211296"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33584"
                           xFract="0.75069194"
                           y3="0.00998"
                           yFract="0.00118246"
                           z3="4.25081"
                           zFract="0.19130558"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11426"
                           xFract="0.01353791"
                           y3="2.05348"
                           yFract="0.24330332"
                           z3="8.89655"
                           zFract="0.40038479"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35426"
                           xFract="0.75287441"
                           y3="6.32378"
                           yFract="0.74926303"
                           z3="6.38335"
                           zFract="0.28727948"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20504"
                           xFract="0.49822749"
                           y3="6.34019"
                           yFract="0.75120735"
                           z3="4.23821"
                           zFract="0.19073852"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41911"
                           xFract="0.99752488"
                           y3="0.06198"
                           yFract="0.0073436"
                           z3="6.3687"
                           zFract="0.28662016"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41662"
                           xFract="0.99722986"
                           y3="2.1070"
                           yFract="0.24964455"
                           z3="4.19775"
                           zFract="0.18891764"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13969"
                           xFract="0.25351777"
                           y3="4.20643"
                           yFract="0.49839218"
                           z3="8.51209"
                           zFract="0.38308236"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08973"
                           xFract="0.24759834"
                           y3="4.21205"
                           yFract="0.49905806"
                           z3="4.26655"
                           zFract="0.19201395"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06928"
                           xFract="0.24517536"
                           y3="6.34789"
                           yFract="0.75211967"
                           z3="6.3930"
                           zFract="0.28771377"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0937"
                           xFract="0.24806872"
                           y3="0.0082"
                           yFract="0.00097156"
                           z3="4.22637"
                           zFract="0.19020567"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25258"
                           xFract="0.50386019"
                           y3="0.03608"
                           yFract="0.00427488"
                           z3="6.33072"
                           zFract="0.28491089"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35179"
                           xFract="0.75258175"
                           y3="2.12589"
                           yFract="0.2518827"
                           z3="6.38783"
                           zFract="0.2874811"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.41898"
                           xFract="0.76054265"
                           y3="4.11415"
                           yFract="0.48745853"
                           z3="8.63681"
                           zFract="0.38869532"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2597"
                           xFract="0.50470379"
                           y3="2.15291"
                           yFract="0.25508412"
                           z3="8.5815"
                           zFract="0.38620612"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4228"
                           xFract="0.99796209"
                           y3="6.31306"
                           yFract="0.74799289"
                           z3="4.26664"
                           zFract="0.192018"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39966"
                           xFract="0.99522038"
                           y3="4.18925"
                           yFract="0.49635664"
                           z3="6.41033"
                           zFract="0.2884937"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21643"
                           xFract="0.49957701"
                           y3="2.11793"
                           yFract="0.25093957"
                           z3="4.22047"
                           zFract="0.18994014"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03391"
                           xFract="0.2409846"
                           y3="2.09805"
                           yFract="0.24858412"
                           z3="6.41875"
                           zFract="0.28887264"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35767"
                           xFract="0.75327844"
                           y3="4.21291"
                           yFract="0.49915995"
                           z3="4.25322"
                           zFract="0.19141404"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.35266"
                           xFract="0.51571801"
                           y3="6.31337"
                           yFract="0.74802962"
                           z3="8.49733"
                           zFract="0.38241809"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26729"
                           xFract="0.50560308"
                           y3="4.17819"
                           yFract="0.49504621"
                           z3="6.43149"
                           zFract="0.28944599"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1675"
                           xFract="0.2568128"
                           y3="-0.01111"
                           yFract="-0.00131635"
                           z3="8.45796"
                           zFract="0.38064626"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33003"
                           xFract="0.75000355"
                           y3="0.26596"
                           yFract="0.03151185"
                           z3="8.49322"
                           zFract="0.38223312"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27346"
                           xFract="0.98026777"
                           y3="2.04125"
                           yFract="0.24185427"
                           z3="6.22401"
                           zFract="0.28010846"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15328"
                           xFract="0.25512796"
                           y3="8.43546"
                           yFract="0.99946209"
                           z3="6.3175"
                           zFract="0.28431593"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00311"
                           xFract="-0.00036848"
                           y3="-0.00098"
                           yFract="-0.00011611"
                           z3="4.25745"
                           zFract="0.19160441"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36609"
                           xFract="0.99124289"
                           y3="0.15084"
                           yFract="0.01787204"
                           z3="8.41446"
                           zFract="0.37868857"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11527"
                           xFract="0.25062441"
                           y3="2.11673"
                           yFract="0.25079739"
                           z3="4.29094"
                           zFract="0.19311161"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.98784"
                           xFract="0.23552607"
                           y3="2.01172"
                           yFract="0.23835545"
                           z3="8.52917"
                           zFract="0.38385104"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40042"
                           xFract="0.52137678"
                           y3="2.11025"
                           yFract="0.25002962"
                           z3="6.28518"
                           zFract="0.28286139"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3305"
                           xFract="0.75005924"
                           y3="8.35418"
                           yFract="0.98983175"
                           z3="6.32118"
                           zFract="0.28448155"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21148"
                           xFract="0.49899052"
                           y3="8.31035"
                           yFract="0.98463863"
                           z3="4.2126"
                           zFract="0.18958596"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33721"
                           xFract="0.51388744"
                           y3="-0.00778"
                           yFract="-0.0009218"
                           z3="8.48131"
                           zFract="0.38169712"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29747"
                           xFract="0.74614573"
                           y3="2.07468"
                           yFract="0.24581517"
                           z3="4.04689"
                           zFract="0.18212826"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.70189"
                           xFract="0.7940628"
                           y3="2.22183"
                           yFract="0.26325"
                           z3="9.04263"
                           zFract="0.40695905"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41503"
                           xFract="0.99704147"
                           y3="6.47336"
                           yFract="0.76698578"
                           z3="6.40818"
                           zFract="0.28839694"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94776"
                           xFract="0.23077725"
                           y3="4.24299"
                           yFract="0.50272393"
                           z3="6.45045"
                           zFract="0.29029928"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02245"
                           xFract="0.00265995"
                           y3="4.20129"
                           yFract="0.49778318"
                           z3="4.12292"
                           zFract="0.18554995"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.35691"
                           xFract="0.04228791"
                           y3="3.94493"
                           yFract="0.46740877"
                           z3="9.40566"
                           zFract="0.42329703"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19977"
                           xFract="0.26063626"
                           y3="6.32583"
                           yFract="0.74950592"
                           z3="4.29507"
                           zFract="0.19329748"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03008"
                           xFract="0.24053081"
                           y3="6.38872"
                           yFract="0.75695735"
                           z3="8.49317"
                           zFract="0.38223087"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22648"
                           xFract="0.50076777"
                           y3="6.34075"
                           yFract="0.7512737"
                           z3="6.29813"
                           zFract="0.28344419"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43073"
                           xFract="0.76193483"
                           y3="4.29612"
                           yFract="0.50901896"
                           z3="6.32303"
                           zFract="0.28456481"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18924"
                           xFract="0.49635545"
                           y3="4.37403"
                           yFract="0.51825"
                           z3="4.29792"
                           zFract="0.19342574"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14227"
                           xFract="0.49079028"
                           y3="4.23255"
                           yFract="0.50148697"
                           z3="8.52309"
                           zFract="0.38357741"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19158"
                           xFract="0.73359953"
                           y3="6.36436"
                           yFract="0.75407109"
                           z3="4.23291"
                           zFract="0.1905"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.45314"
                           xFract="0.76459005"
                           y3="6.14141"
                           yFract="0.72765521"
                           z3="8.46624"
                           zFract="0.3810189"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.127">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1491"
                           xFract="0.01766588"
                           y3="4.04645"
                           yFract="0.4794372"
                           z3="10.35028"
                           zFract="0.46580918"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03296"
                           xFract="-0.00390521"
                           y3="6.43467"
                           yFract="0.76240166"
                           z3="8.49076"
                           zFract="0.38212241"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33628"
                           xFract="0.75074408"
                           y3="0.00951"
                           yFract="0.00112678"
                           z3="4.25116"
                           zFract="0.19132133"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11567"
                           xFract="0.01370498"
                           y3="2.05371"
                           yFract="0.24333057"
                           z3="8.90005"
                           zFract="0.4005423"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35425"
                           xFract="0.75287322"
                           y3="6.32374"
                           yFract="0.74925829"
                           z3="6.38406"
                           zFract="0.28731143"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20537"
                           xFract="0.49826659"
                           y3="6.33858"
                           yFract="0.75101659"
                           z3="4.23883"
                           zFract="0.19076643"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41933"
                           xFract="0.99755095"
                           y3="0.06428"
                           yFract="0.00761611"
                           z3="6.37041"
                           zFract="0.28669712"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41695"
                           xFract="0.99726896"
                           y3="2.10743"
                           yFract="0.2496955"
                           z3="4.20065"
                           zFract="0.18904815"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13869"
                           xFract="0.25339929"
                           y3="4.20732"
                           yFract="0.49849763"
                           z3="8.51295"
                           zFract="0.38312106"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08982"
                           xFract="0.247609"
                           y3="4.21198"
                           yFract="0.49904976"
                           z3="4.26664"
                           zFract="0.192018"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06978"
                           xFract="0.2452346"
                           y3="6.34746"
                           yFract="0.75206872"
                           z3="6.3932"
                           zFract="0.28772277"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09455"
                           xFract="0.24816943"
                           y3="0.00774"
                           yFract="0.00091706"
                           z3="4.22653"
                           zFract="0.19021287"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2526"
                           xFract="0.50386256"
                           y3="0.03545"
                           yFract="0.00420024"
                           z3="6.3308"
                           zFract="0.28491449"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35197"
                           xFract="0.75260308"
                           y3="2.12683"
                           yFract="0.25199408"
                           z3="6.38467"
                           zFract="0.28733888"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.42327"
                           xFract="0.76105095"
                           y3="4.11396"
                           yFract="0.48743602"
                           z3="8.63783"
                           zFract="0.38874122"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2577"
                           xFract="0.50446682"
                           y3="2.15362"
                           yFract="0.25516825"
                           z3="8.58125"
                           zFract="0.38619487"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42266"
                           xFract="0.9979455"
                           y3="6.31186"
                           yFract="0.74785071"
                           z3="4.26601"
                           zFract="0.19198965"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39931"
                           xFract="0.99517891"
                           y3="4.18972"
                           yFract="0.49641232"
                           z3="6.41129"
                           zFract="0.2885369"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21664"
                           xFract="0.4996019"
                           y3="2.11721"
                           yFract="0.25085427"
                           z3="4.22008"
                           zFract="0.18992259"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03404"
                           xFract="0.2410"
                           y3="2.09728"
                           yFract="0.24849289"
                           z3="6.41807"
                           zFract="0.28884203"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35742"
                           xFract="0.75324882"
                           y3="4.21312"
                           yFract="0.49918483"
                           z3="4.25263"
                           zFract="0.19138749"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.35652"
                           xFract="0.51617536"
                           y3="6.31315"
                           yFract="0.74800355"
                           z3="8.49548"
                           zFract="0.38233483"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26748"
                           xFract="0.50562559"
                           y3="4.17858"
                           yFract="0.49509242"
                           z3="6.43169"
                           zFract="0.289455"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16828"
                           xFract="0.25690521"
                           y3="-0.01417"
                           yFract="-0.00167891"
                           z3="8.45966"
                           zFract="0.38072277"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.27635"
                           yFract="0.03274289"
                           z3="8.4924"
                           zFract="0.38219622"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27264"
                           xFract="0.98017062"
                           y3="2.04053"
                           yFract="0.24176896"
                           z3="6.22316"
                           zFract="0.28007021"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15402"
                           xFract="0.25521564"
                           y3="8.43633"
                           yFract="0.99956517"
                           z3="6.31637"
                           zFract="0.28426508"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0026"
                           xFract="-0.00030806"
                           y3="-0.00126"
                           yFract="-0.00014929"
                           z3="4.25796"
                           zFract="0.19162736"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36602"
                           xFract="0.9912346"
                           y3="0.15019"
                           yFract="0.01779502"
                           z3="8.41361"
                           zFract="0.37865032"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11358"
                           xFract="0.25042417"
                           y3="2.1155"
                           yFract="0.25065166"
                           z3="4.28968"
                           zFract="0.19305491"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99201"
                           xFract="0.23602014"
                           y3="2.01025"
                           yFract="0.23818128"
                           z3="8.52984"
                           zFract="0.38388119"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4001"
                           xFract="0.52133886"
                           y3="2.1097"
                           yFract="0.24996445"
                           z3="6.28483"
                           zFract="0.28284563"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3311"
                           xFract="0.75013033"
                           y3="8.35463"
                           yFract="0.98988507"
                           z3="6.32224"
                           zFract="0.28452925"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21171"
                           xFract="0.49901777"
                           y3="8.31143"
                           yFract="0.98476659"
                           z3="4.21313"
                           zFract="0.18960981"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33828"
                           xFract="0.51401422"
                           y3="-0.01073"
                           yFract="-0.00127133"
                           z3="8.48075"
                           zFract="0.38167192"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29964"
                           xFract="0.74640284"
                           y3="2.07431"
                           yFract="0.24577133"
                           z3="4.04651"
                           zFract="0.18211116"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.7070"
                           xFract="0.79466825"
                           y3="2.22396"
                           yFract="0.26350237"
                           z3="9.04745"
                           zFract="0.40717597"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4160"
                           xFract="0.9971564"
                           y3="6.47348"
                           yFract="0.7670"
                           z3="6.40604"
                           zFract="0.28830063"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94685"
                           xFract="0.23066943"
                           y3="4.24076"
                           yFract="0.50245972"
                           z3="6.45081"
                           zFract="0.29031548"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02198"
                           xFract="0.00260427"
                           y3="4.2019"
                           yFract="0.49785545"
                           z3="4.12238"
                           zFract="0.18552565"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.36257"
                           xFract="0.04295853"
                           y3="3.94087"
                           yFract="0.46692773"
                           z3="9.4112"
                           zFract="0.42354635"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20117"
                           xFract="0.26080213"
                           y3="6.32577"
                           yFract="0.74949882"
                           z3="4.29532"
                           zFract="0.19330873"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0265"
                           xFract="0.24010664"
                           y3="6.38891"
                           yFract="0.75697986"
                           z3="8.49216"
                           zFract="0.38218542"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22625"
                           xFract="0.50074052"
                           y3="6.34008"
                           yFract="0.75119431"
                           z3="6.29791"
                           zFract="0.28343429"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43116"
                           xFract="0.76198578"
                           y3="4.29669"
                           yFract="0.50908649"
                           z3="6.32254"
                           zFract="0.28454275"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18893"
                           xFract="0.49631872"
                           y3="4.37254"
                           yFract="0.51807346"
                           z3="4.2976"
                           zFract="0.19341134"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14273"
                           xFract="0.49084479"
                           y3="4.23433"
                           yFract="0.50169787"
                           z3="8.52257"
                           zFract="0.38355401"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19021"
                           xFract="0.7334372"
                           y3="6.36386"
                           yFract="0.75401185"
                           z3="4.23335"
                           zFract="0.1905198"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.45592"
                           xFract="0.76491943"
                           y3="6.1390"
                           yFract="0.72736967"
                           z3="8.46617"
                           zFract="0.38101575"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.128">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.15721"
                           xFract="0.01862678"
                           y3="4.04092"
                           yFract="0.47878199"
                           z3="10.36206"
                           zFract="0.46633933"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03191"
                           xFract="-0.00378081"
                           y3="6.43614"
                           yFract="0.76257583"
                           z3="8.49117"
                           zFract="0.38214086"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33716"
                           xFract="0.75084834"
                           y3="0.00857"
                           yFract="0.0010154"
                           z3="4.25184"
                           zFract="0.19135194"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11848"
                           xFract="0.01403791"
                           y3="2.05417"
                           yFract="0.24338507"
                           z3="8.90707"
                           zFract="0.40085824"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35424"
                           xFract="0.75287204"
                           y3="6.32365"
                           yFract="0.74924763"
                           z3="6.38549"
                           zFract="0.28737579"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20602"
                           xFract="0.4983436"
                           y3="6.33536"
                           yFract="0.75063507"
                           z3="4.24008"
                           zFract="0.19082268"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41979"
                           xFract="0.99760545"
                           y3="0.06888"
                           yFract="0.00816114"
                           z3="6.37382"
                           zFract="0.28685059"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41761"
                           xFract="0.99734716"
                           y3="2.1083"
                           yFract="0.24979858"
                           z3="4.20647"
                           zFract="0.18931008"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13671"
                           xFract="0.25316469"
                           y3="4.2091"
                           yFract="0.49870853"
                           z3="8.51468"
                           zFract="0.38319892"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08998"
                           xFract="0.24762796"
                           y3="4.21185"
                           yFract="0.49903436"
                           z3="4.26684"
                           zFract="0.192027"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07079"
                           xFract="0.24535427"
                           y3="6.34661"
                           yFract="0.75196801"
                           z3="6.3936"
                           zFract="0.28774077"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09626"
                           xFract="0.24837204"
                           y3="0.00682"
                           yFract="0.00080806"
                           z3="4.22686"
                           zFract="0.19022772"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25263"
                           xFract="0.50386611"
                           y3="0.03419"
                           yFract="0.00405095"
                           z3="6.33094"
                           zFract="0.28492079"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35232"
                           xFract="0.75264455"
                           y3="2.1287"
                           yFract="0.25221564"
                           z3="6.37834"
                           zFract="0.28705401"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.43186"
                           xFract="0.76206872"
                           y3="4.11358"
                           yFract="0.487391"
                           z3="8.63988"
                           zFract="0.38883348"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2537"
                           xFract="0.50399289"
                           y3="2.15505"
                           yFract="0.25533768"
                           z3="8.58076"
                           zFract="0.38617282"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4224"
                           xFract="0.99791469"
                           y3="6.30947"
                           yFract="0.74756754"
                           z3="4.26475"
                           zFract="0.19193294"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39861"
                           xFract="0.99509597"
                           y3="4.19065"
                           yFract="0.49652251"
                           z3="6.41322"
                           zFract="0.28862376"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21707"
                           xFract="0.49965284"
                           y3="2.11578"
                           yFract="0.25068483"
                           z3="4.2193"
                           zFract="0.18988749"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03429"
                           xFract="0.24102962"
                           y3="2.09575"
                           yFract="0.24831161"
                           z3="6.41669"
                           zFract="0.28877993"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35692"
                           xFract="0.75318957"
                           y3="4.21353"
                           yFract="0.49923341"
                           z3="4.25145"
                           zFract="0.19133438"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.36424"
                           xFract="0.51709005"
                           y3="6.31271"
                           yFract="0.74795142"
                           z3="8.49179"
                           zFract="0.38216877"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26785"
                           xFract="0.50566943"
                           y3="4.17937"
                           yFract="0.49518602"
                           z3="6.43209"
                           zFract="0.289473"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16985"
                           xFract="0.25709123"
                           y3="-0.0203"
                           yFract="-0.00240521"
                           z3="8.46306"
                           zFract="0.38087579"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32996"
                           xFract="0.74999526"
                           y3="0.29712"
                           yFract="0.03520379"
                           z3="8.49078"
                           zFract="0.38212331"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2710"
                           xFract="0.9799763"
                           y3="2.0391"
                           yFract="0.24159953"
                           z3="6.22146"
                           zFract="0.2799937"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15552"
                           xFract="0.25539336"
                           y3="8.43808"
                           yFract="0.99977251"
                           z3="6.31412"
                           zFract="0.28416382"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00156"
                           xFract="-0.00018483"
                           y3="-0.00182"
                           yFract="-0.00021564"
                           z3="4.25898"
                           zFract="0.19167327"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36588"
                           xFract="0.99121801"
                           y3="0.14889"
                           yFract="0.017641"
                           z3="8.41192"
                           zFract="0.37857426"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11019"
                           xFract="0.25002251"
                           y3="2.11304"
                           yFract="0.25036019"
                           z3="4.28715"
                           zFract="0.19294104"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00035"
                           xFract="0.23700829"
                           y3="2.00732"
                           yFract="0.23783412"
                           z3="8.53117"
                           zFract="0.38394104"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39945"
                           xFract="0.52126185"
                           y3="2.10859"
                           yFract="0.24983294"
                           z3="6.28412"
                           zFract="0.28281368"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3323"
                           xFract="0.75027251"
                           y3="8.35554"
                           yFract="0.98999289"
                           z3="6.32436"
                           zFract="0.28462466"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21219"
                           xFract="0.49907464"
                           y3="8.31359"
                           yFract="0.98502251"
                           z3="4.21418"
                           zFract="0.18965707"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34041"
                           xFract="0.51426659"
                           y3="-0.01663"
                           yFract="-0.00197038"
                           z3="8.47964"
                           zFract="0.38162196"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30396"
                           xFract="0.74691469"
                           y3="2.07357"
                           yFract="0.24568365"
                           z3="4.04575"
                           zFract="0.18207696"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71724"
                           xFract="0.79588152"
                           y3="2.22822"
                           yFract="0.26400711"
                           z3="9.05708"
                           zFract="0.40760936"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41793"
                           xFract="0.99738507"
                           y3="6.47372"
                           yFract="0.76702844"
                           z3="6.40176"
                           zFract="0.28810801"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94505"
                           xFract="0.23045616"
                           y3="4.2363"
                           yFract="0.50193128"
                           z3="6.45155"
                           zFract="0.29034878"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02104"
                           xFract="0.00249289"
                           y3="4.20313"
                           yFract="0.49800118"
                           z3="4.12132"
                           zFract="0.18547795"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.37391"
                           xFract="0.04430213"
                           y3="3.93274"
                           yFract="0.46596445"
                           z3="9.42229"
                           zFract="0.42404545"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20398"
                           xFract="0.26113507"
                           y3="6.32566"
                           yFract="0.74948578"
                           z3="4.29582"
                           zFract="0.19333123"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01933"
                           xFract="0.23925711"
                           y3="6.38929"
                           yFract="0.75702488"
                           z3="8.49013"
                           zFract="0.38209406"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22578"
                           xFract="0.50068483"
                           y3="6.33876"
                           yFract="0.75103791"
                           z3="6.29748"
                           zFract="0.28341494"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43202"
                           xFract="0.76208768"
                           y3="4.29785"
                           yFract="0.50922393"
                           z3="6.32155"
                           zFract="0.2844982"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18832"
                           xFract="0.49624645"
                           y3="4.36956"
                           yFract="0.51772038"
                           z3="4.29695"
                           zFract="0.19338209"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14366"
                           xFract="0.49095498"
                           y3="4.23788"
                           yFract="0.50211848"
                           z3="8.52153"
                           zFract="0.3835072"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18748"
                           xFract="0.73311374"
                           y3="6.36287"
                           yFract="0.75389455"
                           z3="4.23421"
                           zFract="0.19055851"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46146"
                           xFract="0.76557583"
                           y3="6.13418"
                           yFract="0.72679858"
                           z3="8.46605"
                           zFract="0.38101035"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.129">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.15406"
                           xFract="0.01825355"
                           y3="4.04307"
                           yFract="0.47903673"
                           z3="10.35749"
                           zFract="0.46613366"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03232"
                           xFract="-0.00382938"
                           y3="6.43557"
                           yFract="0.76250829"
                           z3="8.49101"
                           zFract="0.38213366"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33682"
                           xFract="0.75080806"
                           y3="0.00893"
                           yFract="0.00105806"
                           z3="4.25158"
                           zFract="0.19134023"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11739"
                           xFract="0.01390877"
                           y3="2.05399"
                           yFract="0.24336374"
                           z3="8.90435"
                           zFract="0.40073582"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35424"
                           xFract="0.75287204"
                           y3="6.32369"
                           yFract="0.74925237"
                           z3="6.38493"
                           zFract="0.28735059"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20577"
                           xFract="0.49831398"
                           y3="6.33661"
                           yFract="0.75078318"
                           z3="4.23959"
                           zFract="0.19080063"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41961"
                           xFract="0.99758412"
                           y3="0.0671"
                           yFract="0.00795024"
                           z3="6.37249"
                           zFract="0.28679073"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41736"
                           xFract="0.99731754"
                           y3="2.10796"
                           yFract="0.24975829"
                           z3="4.20422"
                           zFract="0.18920882"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13748"
                           xFract="0.25325592"
                           y3="4.20841"
                           yFract="0.49862678"
                           z3="8.51401"
                           zFract="0.38316877"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08992"
                           xFract="0.24762085"
                           y3="4.2119"
                           yFract="0.49904028"
                           z3="4.26676"
                           zFract="0.1920234"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0704"
                           xFract="0.24530806"
                           y3="6.34694"
                           yFract="0.75200711"
                           z3="6.39344"
                           zFract="0.28773357"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0956"
                           xFract="0.24829384"
                           y3="0.00718"
                           yFract="0.00085071"
                           z3="4.22673"
                           zFract="0.19022187"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25261"
                           xFract="0.50386374"
                           y3="0.03468"
                           yFract="0.004109"
                           z3="6.33088"
                           zFract="0.28491809"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35218"
                           xFract="0.75262796"
                           y3="2.12798"
                           yFract="0.25213033"
                           z3="6.38079"
                           zFract="0.28716427"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.42853"
                           xFract="0.76167417"
                           y3="4.11373"
                           yFract="0.48740877"
                           z3="8.63909"
                           zFract="0.38879793"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25525"
                           xFract="0.50417654"
                           y3="2.15449"
                           yFract="0.25527133"
                           z3="8.58095"
                           zFract="0.38618137"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4225"
                           xFract="0.99792654"
                           y3="6.31039"
                           yFract="0.74767654"
                           z3="4.26524"
                           zFract="0.191955"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39888"
                           xFract="0.99512796"
                           y3="4.19029"
                           yFract="0.49647986"
                           z3="6.41247"
                           zFract="0.28859001"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21691"
                           xFract="0.49963389"
                           y3="2.11633"
                           yFract="0.25075"
                           z3="4.2196"
                           zFract="0.18990099"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03419"
                           xFract="0.24101777"
                           y3="2.09634"
                           yFract="0.24838152"
                           z3="6.41723"
                           zFract="0.28880423"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35711"
                           xFract="0.75321209"
                           y3="4.21337"
                           yFract="0.49921445"
                           z3="4.25191"
                           zFract="0.19135509"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.36125"
                           xFract="0.51673578"
                           y3="6.31288"
                           yFract="0.74797156"
                           z3="8.49322"
                           zFract="0.38223312"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26771"
                           xFract="0.50565284"
                           y3="4.17906"
                           yFract="0.49514929"
                           z3="6.43193"
                           zFract="0.2894658"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16924"
                           xFract="0.25701896"
                           y3="-0.01792"
                           yFract="-0.00212322"
                           z3="8.46174"
                           zFract="0.38081638"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32998"
                           xFract="0.74999763"
                           y3="0.28906"
                           yFract="0.03424882"
                           z3="8.49141"
                           zFract="0.38215167"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27164"
                           xFract="0.98005213"
                           y3="2.03965"
                           yFract="0.24166469"
                           z3="6.22212"
                           zFract="0.2800234"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15494"
                           xFract="0.25532464"
                           y3="8.4374"
                           yFract="0.99969194"
                           z3="6.3150"
                           zFract="0.28420342"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00196"
                           xFract="-0.00023223"
                           y3="-0.0016"
                           yFract="-0.00018957"
                           z3="4.25859"
                           zFract="0.19165572"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36594"
                           xFract="0.99122512"
                           y3="0.14939"
                           yFract="0.01770024"
                           z3="8.41258"
                           zFract="0.37860396"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11151"
                           xFract="0.25017891"
                           y3="2.1140"
                           yFract="0.25047393"
                           z3="4.28813"
                           zFract="0.19298515"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99712"
                           xFract="0.23662559"
                           y3="2.00845"
                           yFract="0.23796801"
                           z3="8.53065"
                           zFract="0.38391764"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.3997"
                           xFract="0.52129147"
                           y3="2.10902"
                           yFract="0.24988389"
                           z3="6.28439"
                           zFract="0.28282583"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33183"
                           xFract="0.75021682"
                           y3="8.35519"
                           yFract="0.98995142"
                           z3="6.32354"
                           zFract="0.28458776"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2120"
                           xFract="0.49905213"
                           y3="8.31275"
                           yFract="0.98492299"
                           z3="4.21377"
                           zFract="0.18963861"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33958"
                           xFract="0.51416825"
                           y3="-0.01434"
                           yFract="-0.00169905"
                           z3="8.48007"
                           zFract="0.38164131"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30229"
                           xFract="0.74671682"
                           y3="2.07386"
                           yFract="0.24571801"
                           z3="4.04604"
                           zFract="0.18209001"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71327"
                           xFract="0.79541114"
                           y3="2.22657"
                           yFract="0.26381161"
                           z3="9.05334"
                           zFract="0.40744104"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41718"
                           xFract="0.99729621"
                           y3="6.47363"
                           yFract="0.76701777"
                           z3="6.40342"
                           zFract="0.28818272"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94575"
                           xFract="0.2305391"
                           y3="4.23803"
                           yFract="0.50213626"
                           z3="6.45126"
                           zFract="0.29033573"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02141"
                           xFract="0.00253673"
                           y3="4.20266"
                           yFract="0.4979455"
                           z3="4.12173"
                           zFract="0.1854964"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.36951"
                           xFract="0.04378081"
                           y3="3.9359"
                           yFract="0.46633886"
                           z3="9.41799"
                           zFract="0.42385194"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20289"
                           xFract="0.26100592"
                           y3="6.3257"
                           yFract="0.74949052"
                           z3="4.29562"
                           zFract="0.19332223"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.02211"
                           xFract="0.23958649"
                           y3="6.38915"
                           yFract="0.75700829"
                           z3="8.49092"
                           zFract="0.38212961"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22596"
                           xFract="0.50070616"
                           y3="6.33927"
                           yFract="0.75109834"
                           z3="6.29765"
                           zFract="0.28342259"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43169"
                           xFract="0.76204858"
                           y3="4.2974"
                           yFract="0.50917062"
                           z3="6.32193"
                           zFract="0.2845153"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18856"
                           xFract="0.49627488"
                           y3="4.37071"
                           yFract="0.51785664"
                           z3="4.2972"
                           zFract="0.19339334"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1433"
                           xFract="0.49091232"
                           y3="4.2365"
                           yFract="0.50195498"
                           z3="8.52193"
                           zFract="0.3835252"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18854"
                           xFract="0.73323934"
                           y3="6.36326"
                           yFract="0.75394076"
                           z3="4.23387"
                           zFract="0.1905432"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.45931"
                           xFract="0.76532109"
                           y3="6.13605"
                           yFract="0.72702014"
                           z3="8.4661"
                           zFract="0.3810126"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.130">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.15457"
                           xFract="0.01831398"
                           y3="4.04255"
                           yFract="0.47897512"
                           z3="10.36065"
                           zFract="0.46627588"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03275"
                           xFract="-0.00388033"
                           y3="6.43578"
                           yFract="0.76253318"
                           z3="8.49071"
                           zFract="0.38212016"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33684"
                           xFract="0.75081043"
                           y3="0.00905"
                           yFract="0.00107227"
                           z3="4.25153"
                           zFract="0.19133798"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.11921"
                           xFract="0.01412441"
                           y3="2.05329"
                           yFract="0.24328081"
                           z3="8.90493"
                           zFract="0.40076193"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35464"
                           xFract="0.75291943"
                           y3="6.32387"
                           yFract="0.7492737"
                           z3="6.38511"
                           zFract="0.28735869"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20519"
                           xFract="0.49824526"
                           y3="6.3369"
                           yFract="0.75081754"
                           z3="4.23921"
                           zFract="0.19078353"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4198"
                           xFract="0.99760664"
                           y3="0.06673"
                           yFract="0.0079064"
                           z3="6.37242"
                           zFract="0.28678758"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41736"
                           xFract="0.99731754"
                           y3="2.10794"
                           yFract="0.24975592"
                           z3="4.2041"
                           zFract="0.18920342"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13786"
                           xFract="0.25330095"
                           y3="4.20858"
                           yFract="0.49864692"
                           z3="8.51398"
                           zFract="0.38316742"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08991"
                           xFract="0.24761967"
                           y3="4.21179"
                           yFract="0.49902725"
                           z3="4.2668"
                           zFract="0.1920252"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07031"
                           xFract="0.24529739"
                           y3="6.34672"
                           yFract="0.75198104"
                           z3="6.39293"
                           zFract="0.28771062"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09564"
                           xFract="0.24829858"
                           y3="0.00707"
                           yFract="0.00083768"
                           z3="4.22689"
                           zFract="0.19022907"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25267"
                           xFract="0.50387085"
                           y3="0.03471"
                           yFract="0.00411256"
                           z3="6.33061"
                           zFract="0.28490594"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3522"
                           xFract="0.75263033"
                           y3="2.12808"
                           yFract="0.25214218"
                           z3="6.3802"
                           zFract="0.28713771"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.42966"
                           xFract="0.76180806"
                           y3="4.11377"
                           yFract="0.48741351"
                           z3="8.63922"
                           zFract="0.38880378"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25452"
                           xFract="0.50409005"
                           y3="2.15494"
                           yFract="0.25532464"
                           z3="8.58068"
                           zFract="0.38616922"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42265"
                           xFract="0.99794431"
                           y3="6.31055"
                           yFract="0.7476955"
                           z3="4.26529"
                           zFract="0.19195725"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39884"
                           xFract="0.99512322"
                           y3="4.1903"
                           yFract="0.49648104"
                           z3="6.41273"
                           zFract="0.28860171"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="2.11613"
                           yFract="0.2507263"
                           z3="4.21943"
                           zFract="0.18989334"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03433"
                           xFract="0.24103436"
                           y3="2.09612"
                           yFract="0.24835545"
                           z3="6.41728"
                           zFract="0.28880648"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35718"
                           xFract="0.75322038"
                           y3="4.21322"
                           yFract="0.49919668"
                           z3="4.25183"
                           zFract="0.19135149"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.36257"
                           xFract="0.51689218"
                           y3="6.31265"
                           yFract="0.74794431"
                           z3="8.49318"
                           zFract="0.38223132"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26771"
                           xFract="0.50565284"
                           y3="4.17885"
                           yFract="0.49512441"
                           z3="6.43216"
                           zFract="0.28947615"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16931"
                           xFract="0.25702725"
                           y3="-0.0181"
                           yFract="-0.00214455"
                           z3="8.46179"
                           zFract="0.38081863"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32968"
                           xFract="0.74996209"
                           y3="0.2909"
                           yFract="0.03446682"
                           z3="8.49098"
                           zFract="0.38213231"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27145"
                           xFract="0.98002962"
                           y3="2.0400"
                           yFract="0.24170616"
                           z3="6.2224"
                           zFract="0.280036"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15495"
                           xFract="0.25532583"
                           y3="8.43743"
                           yFract="0.9996955"
                           z3="6.31512"
                           zFract="0.28420882"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00188"
                           xFract="-0.00022275"
                           y3="-0.00192"
                           yFract="-0.00022749"
                           z3="4.25874"
                           zFract="0.19166247"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3660"
                           xFract="0.99123223"
                           y3="0.14978"
                           yFract="0.01774645"
                           z3="8.41262"
                           zFract="0.37860576"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1113"
                           xFract="0.25015403"
                           y3="2.1140"
                           yFract="0.25047393"
                           z3="4.28774"
                           zFract="0.1929676"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99745"
                           xFract="0.23666469"
                           y3="2.00814"
                           yFract="0.23793128"
                           z3="8.53093"
                           zFract="0.38393024"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39981"
                           xFract="0.5213045"
                           y3="2.10905"
                           yFract="0.24988744"
                           z3="6.2846"
                           zFract="0.28283528"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33193"
                           xFract="0.75022867"
                           y3="8.35508"
                           yFract="0.98993839"
                           z3="6.32376"
                           zFract="0.28459766"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2121"
                           xFract="0.49906398"
                           y3="8.31261"
                           yFract="0.9849064"
                           z3="4.21372"
                           zFract="0.18963636"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33987"
                           xFract="0.51420261"
                           y3="-0.01491"
                           yFract="-0.00176659"
                           z3="8.48013"
                           zFract="0.38164401"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3027"
                           xFract="0.7467654"
                           y3="2.07371"
                           yFract="0.24570024"
                           z3="4.04593"
                           zFract="0.18208506"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71392"
                           xFract="0.79548815"
                           y3="2.22743"
                           yFract="0.26391351"
                           z3="9.05478"
                           zFract="0.40750585"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41701"
                           xFract="0.99727607"
                           y3="6.47392"
                           yFract="0.76705213"
                           z3="6.40315"
                           zFract="0.28817057"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94567"
                           xFract="0.23052962"
                           y3="4.23796"
                           yFract="0.50212796"
                           z3="6.45146"
                           zFract="0.29034473"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02139"
                           xFract="0.00253436"
                           y3="4.20266"
                           yFract="0.4979455"
                           z3="4.12169"
                           zFract="0.1854946"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.37114"
                           xFract="0.04397393"
                           y3="3.9350"
                           yFract="0.46623223"
                           z3="9.41769"
                           zFract="0.42383843"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20333"
                           xFract="0.26105806"
                           y3="6.32549"
                           yFract="0.74946564"
                           z3="4.29573"
                           zFract="0.19332718"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.02153"
                           xFract="0.23951777"
                           y3="6.38896"
                           yFract="0.75698578"
                           z3="8.49097"
                           zFract="0.38213186"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22594"
                           xFract="0.50070379"
                           y3="6.33921"
                           yFract="0.75109123"
                           z3="6.29763"
                           zFract="0.28342169"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43158"
                           xFract="0.76203555"
                           y3="4.29741"
                           yFract="0.5091718"
                           z3="6.32189"
                           zFract="0.2845135"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18857"
                           xFract="0.49627607"
                           y3="4.37042"
                           yFract="0.51782227"
                           z3="4.29728"
                           zFract="0.19339694"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1432"
                           xFract="0.49090047"
                           y3="4.23679"
                           yFract="0.50198934"
                           z3="8.52176"
                           zFract="0.38351755"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18845"
                           xFract="0.73322867"
                           y3="6.36315"
                           yFract="0.75392773"
                           z3="4.2338"
                           zFract="0.19054005"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.45986"
                           xFract="0.76538626"
                           y3="6.13535"
                           yFract="0.7269372"
                           z3="8.46589"
                           zFract="0.38100315"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.131">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.15525"
                           xFract="0.01839455"
                           y3="4.04185"
                           yFract="0.47889218"
                           z3="10.36489"
                           zFract="0.4664667"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03332"
                           xFract="-0.00394787"
                           y3="6.43606"
                           yFract="0.76256635"
                           z3="8.4903"
                           zFract="0.38210171"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33687"
                           xFract="0.75081398"
                           y3="0.00922"
                           yFract="0.00109242"
                           z3="4.25147"
                           zFract="0.19133528"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.12166"
                           xFract="0.01441469"
                           y3="2.05235"
                           yFract="0.24316943"
                           z3="8.90572"
                           zFract="0.40079748"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35517"
                           xFract="0.75298223"
                           y3="6.32411"
                           yFract="0.74930213"
                           z3="6.38536"
                           zFract="0.28736994"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20441"
                           xFract="0.49815284"
                           y3="6.33729"
                           yFract="0.75086374"
                           z3="4.2387"
                           zFract="0.19076058"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42005"
                           xFract="0.99763626"
                           y3="0.06625"
                           yFract="0.00784953"
                           z3="6.37232"
                           zFract="0.28678308"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41737"
                           xFract="0.99731872"
                           y3="2.10791"
                           yFract="0.24975237"
                           z3="4.20393"
                           zFract="0.18919577"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13838"
                           xFract="0.25336256"
                           y3="4.20881"
                           yFract="0.49867417"
                           z3="8.51394"
                           zFract="0.38316562"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08991"
                           xFract="0.24761967"
                           y3="4.21163"
                           yFract="0.49900829"
                           z3="4.26685"
                           zFract="0.19202745"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0702"
                           xFract="0.24528436"
                           y3="6.34643"
                           yFract="0.75194668"
                           z3="6.39224"
                           zFract="0.28767957"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09569"
                           xFract="0.2483045"
                           y3="0.00692"
                           yFract="0.00081991"
                           z3="4.2271"
                           zFract="0.19023852"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25276"
                           xFract="0.50388152"
                           y3="0.03475"
                           yFract="0.0041173"
                           z3="6.33023"
                           zFract="0.28488884"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35222"
                           xFract="0.7526327"
                           y3="2.12823"
                           yFract="0.25215995"
                           z3="6.3794"
                           zFract="0.28710171"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.43119"
                           xFract="0.76198934"
                           y3="4.11382"
                           yFract="0.48741943"
                           z3="8.63939"
                           zFract="0.38881143"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25354"
                           xFract="0.50397393"
                           y3="2.15554"
                           yFract="0.25539573"
                           z3="8.58032"
                           zFract="0.38615302"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42286"
                           xFract="0.99796919"
                           y3="6.31075"
                           yFract="0.74771919"
                           z3="4.26537"
                           zFract="0.19196085"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39879"
                           xFract="0.9951173"
                           y3="4.19032"
                           yFract="0.49648341"
                           z3="6.41308"
                           zFract="0.28861746"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21659"
                           xFract="0.49959597"
                           y3="2.11585"
                           yFract="0.25069313"
                           z3="4.21921"
                           zFract="0.18988344"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03451"
                           xFract="0.24105569"
                           y3="2.09581"
                           yFract="0.24831872"
                           z3="6.41736"
                           zFract="0.28881008"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35727"
                           xFract="0.75323104"
                           y3="4.21301"
                           yFract="0.4991718"
                           z3="4.25171"
                           zFract="0.19134608"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.36435"
                           xFract="0.51710308"
                           y3="6.31234"
                           yFract="0.74790758"
                           z3="8.49311"
                           zFract="0.38222817"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2677"
                           xFract="0.50565166"
                           y3="4.17856"
                           yFract="0.49509005"
                           z3="6.43246"
                           zFract="0.28948965"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16941"
                           xFract="0.2570391"
                           y3="-0.01834"
                           yFract="-0.00217299"
                           z3="8.46185"
                           zFract="0.38082133"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32927"
                           xFract="0.74991351"
                           y3="0.29337"
                           yFract="0.03475948"
                           z3="8.49041"
                           zFract="0.38210666"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27119"
                           xFract="0.97999882"
                           y3="2.04046"
                           yFract="0.24176066"
                           z3="6.22279"
                           zFract="0.28005356"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15497"
                           xFract="0.2553282"
                           y3="8.43746"
                           yFract="0.99969905"
                           z3="6.3153"
                           zFract="0.28421692"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00177"
                           xFract="-0.00020972"
                           y3="-0.00236"
                           yFract="-0.00027962"
                           z3="4.25895"
                           zFract="0.19167192"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36607"
                           xFract="0.99124052"
                           y3="0.1503"
                           yFract="0.01780806"
                           z3="8.41268"
                           zFract="0.37860846"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11103"
                           xFract="0.25012204"
                           y3="2.1140"
                           yFract="0.25047393"
                           z3="4.28721"
                           zFract="0.19294374"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.9979"
                           xFract="0.23671801"
                           y3="2.00772"
                           yFract="0.23788152"
                           z3="8.5313"
                           zFract="0.38394689"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.39994"
                           xFract="0.52131991"
                           y3="2.10909"
                           yFract="0.24989218"
                           z3="6.28487"
                           zFract="0.28284743"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33205"
                           xFract="0.75024289"
                           y3="8.35494"
                           yFract="0.9899218"
                           z3="6.32406"
                           zFract="0.28461116"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21223"
                           xFract="0.49907938"
                           y3="8.31243"
                           yFract="0.98488507"
                           z3="4.21366"
                           zFract="0.18963366"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34025"
                           xFract="0.51424763"
                           y3="-0.01567"
                           yFract="-0.00185664"
                           z3="8.4802"
                           zFract="0.38164716"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30326"
                           xFract="0.74683175"
                           y3="2.07351"
                           yFract="0.24567654"
                           z3="4.04577"
                           zFract="0.18207786"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71479"
                           xFract="0.79559123"
                           y3="2.22859"
                           yFract="0.26405095"
                           z3="9.05671"
                           zFract="0.40759271"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41679"
                           xFract="0.99725"
                           y3="6.47431"
                           yFract="0.76709834"
                           z3="6.4028"
                           zFract="0.28815482"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94558"
                           xFract="0.23051896"
                           y3="4.23787"
                           yFract="0.5021173"
                           z3="6.45172"
                           zFract="0.29035644"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02138"
                           xFract="0.00253318"
                           y3="4.20266"
                           yFract="0.4979455"
                           z3="4.12164"
                           zFract="0.18549235"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.37332"
                           xFract="0.04423223"
                           y3="3.93379"
                           yFract="0.46608886"
                           z3="9.41729"
                           zFract="0.42382043"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20393"
                           xFract="0.26112915"
                           y3="6.3252"
                           yFract="0.74943128"
                           z3="4.29589"
                           zFract="0.19333438"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.02076"
                           xFract="0.23942654"
                           y3="6.38871"
                           yFract="0.75695616"
                           z3="8.49103"
                           zFract="0.38213456"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22591"
                           xFract="0.50070024"
                           y3="6.33914"
                           yFract="0.75108294"
                           z3="6.29761"
                           zFract="0.28342079"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43144"
                           xFract="0.76201896"
                           y3="4.29742"
                           yFract="0.50917299"
                           z3="6.32184"
                           zFract="0.28451125"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18858"
                           xFract="0.49627725"
                           y3="4.37002"
                           yFract="0.51777488"
                           z3="4.29738"
                           zFract="0.19340144"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14307"
                           xFract="0.49088507"
                           y3="4.23718"
                           yFract="0.50203555"
                           z3="8.52154"
                           zFract="0.38350765"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18834"
                           xFract="0.73321564"
                           y3="6.3630"
                           yFract="0.75390995"
                           z3="4.2337"
                           zFract="0.19053555"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4606"
                           xFract="0.76547393"
                           y3="6.13441"
                           yFract="0.72682583"
                           z3="8.46562"
                           zFract="0.380991"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.132">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.15604"
                           xFract="0.01848815"
                           y3="4.0412"
                           yFract="0.47881517"
                           z3="10.36592"
                           zFract="0.46651305"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03382"
                           xFract="-0.00400711"
                           y3="6.43627"
                           yFract="0.76259123"
                           z3="8.4899"
                           zFract="0.38208371"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33685"
                           xFract="0.75081161"
                           y3="0.00938"
                           yFract="0.00111137"
                           z3="4.25139"
                           zFract="0.19133168"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.12348"
                           xFract="0.01463033"
                           y3="2.05157"
                           yFract="0.24307701"
                           z3="8.9062"
                           zFract="0.40081908"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35559"
                           xFract="0.75303199"
                           y3="6.32428"
                           yFract="0.74932227"
                           z3="6.38545"
                           zFract="0.28737399"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20384"
                           xFract="0.49808531"
                           y3="6.33767"
                           yFract="0.75090877"
                           z3="4.23824"
                           zFract="0.19073987"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42024"
                           xFract="0.99765877"
                           y3="0.06567"
                           yFract="0.00778081"
                           z3="6.37206"
                           zFract="0.28677138"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41736"
                           xFract="0.99731754"
                           y3="2.10784"
                           yFract="0.24974408"
                           z3="4.20352"
                           zFract="0.18917732"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1390"
                           xFract="0.25343602"
                           y3="4.20901"
                           yFract="0.49869787"
                           z3="8.51381"
                           zFract="0.38315977"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08989"
                           xFract="0.2476173"
                           y3="4.21148"
                           yFract="0.49899052"
                           z3="4.26688"
                           zFract="0.1920288"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07006"
                           xFract="0.24526777"
                           y3="6.34621"
                           yFract="0.75192062"
                           z3="6.39167"
                           zFract="0.28765392"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09564"
                           xFract="0.24829858"
                           y3="0.00685"
                           yFract="0.00081161"
                           z3="4.22726"
                           zFract="0.19024572"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25283"
                           xFract="0.50388981"
                           y3="0.03482"
                           yFract="0.00412559"
                           z3="6.32992"
                           zFract="0.28487489"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35221"
                           xFract="0.75263152"
                           y3="2.12827"
                           yFract="0.25216469"
                           z3="6.37898"
                           zFract="0.28708281"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.43223"
                           xFract="0.76211256"
                           y3="4.11388"
                           yFract="0.48742654"
                           z3="8.63946"
                           zFract="0.38881458"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25283"
                           xFract="0.50388981"
                           y3="2.15601"
                           yFract="0.25545142"
                           z3="8.5800"
                           zFract="0.38613861"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42303"
                           xFract="0.99798934"
                           y3="6.31104"
                           yFract="0.74775355"
                           z3="4.26548"
                           zFract="0.1919658"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39877"
                           xFract="0.99511493"
                           y3="4.19027"
                           yFract="0.49647749"
                           z3="6.41332"
                           zFract="0.28862826"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21641"
                           xFract="0.49957464"
                           y3="2.11568"
                           yFract="0.25067299"
                           z3="4.21905"
                           zFract="0.18987624"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03464"
                           xFract="0.24107109"
                           y3="2.09563"
                           yFract="0.24829739"
                           z3="6.41748"
                           zFract="0.28881548"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35736"
                           xFract="0.75324171"
                           y3="4.21283"
                           yFract="0.49915047"
                           z3="4.25168"
                           zFract="0.19134473"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.36559"
                           xFract="0.51725"
                           y3="6.3121"
                           yFract="0.74787915"
                           z3="8.49323"
                           zFract="0.38223357"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26769"
                           xFract="0.50565047"
                           y3="4.1783"
                           yFract="0.49505924"
                           z3="6.4327"
                           zFract="0.28950045"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16945"
                           xFract="0.25704384"
                           y3="-0.01834"
                           yFract="-0.00217299"
                           z3="8.46174"
                           zFract="0.38081638"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32892"
                           xFract="0.74987204"
                           y3="0.2947"
                           yFract="0.03491706"
                           z3="8.48997"
                           zFract="0.38208686"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27106"
                           xFract="0.97998341"
                           y3="2.04094"
                           yFract="0.24181754"
                           z3="6.22318"
                           zFract="0.28007111"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15492"
                           xFract="0.25532227"
                           y3="8.4374"
                           yFract="0.99969194"
                           z3="6.31554"
                           zFract="0.28422772"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00171"
                           xFract="-0.00020261"
                           y3="-0.00271"
                           yFract="-0.00032109"
                           z3="4.2591"
                           zFract="0.19167867"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36613"
                           xFract="0.99124763"
                           y3="0.15078"
                           yFract="0.01786493"
                           z3="8.41279"
                           zFract="0.37861341"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11093"
                           xFract="0.25011019"
                           y3="2.11409"
                           yFract="0.2504846"
                           z3="4.28683"
                           zFract="0.19292664"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99809"
                           xFract="0.23674052"
                           y3="2.00741"
                           yFract="0.23784479"
                           z3="8.53156"
                           zFract="0.3839586"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4001"
                           xFract="0.52133886"
                           y3="2.10916"
                           yFract="0.24990047"
                           z3="6.28514"
                           zFract="0.28285959"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33212"
                           xFract="0.75025118"
                           y3="8.35477"
                           yFract="0.98990166"
                           z3="6.32424"
                           zFract="0.28461926"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21231"
                           xFract="0.49908886"
                           y3="8.3122"
                           yFract="0.98485782"
                           z3="4.21354"
                           zFract="0.18962826"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3405"
                           xFract="0.51427725"
                           y3="-0.01611"
                           yFract="-0.00190877"
                           z3="8.48032"
                           zFract="0.38165257"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30357"
                           xFract="0.74686848"
                           y3="2.07335"
                           yFract="0.24565758"
                           z3="4.04566"
                           zFract="0.18207291"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71533"
                           xFract="0.79565521"
                           y3="2.22944"
                           yFract="0.26415166"
                           z3="9.05808"
                           zFract="0.40765437"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41652"
                           xFract="0.99721801"
                           y3="6.47464"
                           yFract="0.76713744"
                           z3="6.40267"
                           zFract="0.28814896"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94555"
                           xFract="0.2305154"
                           y3="4.23796"
                           yFract="0.50212796"
                           z3="6.45192"
                           zFract="0.29036544"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02141"
                           xFract="0.00253673"
                           y3="4.20262"
                           yFract="0.49794076"
                           z3="4.12165"
                           zFract="0.1854928"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.37419"
                           xFract="0.04433531"
                           y3="3.93332"
                           yFract="0.46603318"
                           z3="9.41881"
                           zFract="0.42388884"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20431"
                           xFract="0.26117417"
                           y3="6.32496"
                           yFract="0.74940284"
                           z3="4.29598"
                           zFract="0.19333843"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.02031"
                           xFract="0.23937322"
                           y3="6.38848"
                           yFract="0.75692891"
                           z3="8.49116"
                           zFract="0.38214041"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22591"
                           xFract="0.50070024"
                           y3="6.33913"
                           yFract="0.75108175"
                           z3="6.29758"
                           zFract="0.28341944"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43128"
                           xFract="0.7620"
                           y3="4.29739"
                           yFract="0.50916943"
                           z3="6.32184"
                           zFract="0.28451125"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18861"
                           xFract="0.49628081"
                           y3="4.36979"
                           yFract="0.51774763"
                           z3="4.2975"
                           zFract="0.19340684"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14293"
                           xFract="0.49086848"
                           y3="4.23738"
                           yFract="0.50205924"
                           z3="8.52138"
                           zFract="0.38350045"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18831"
                           xFract="0.73321209"
                           y3="6.36293"
                           yFract="0.75390166"
                           z3="4.23356"
                           zFract="0.19052925"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46104"
                           xFract="0.76552607"
                           y3="6.13372"
                           yFract="0.72674408"
                           z3="8.46537"
                           zFract="0.38097975"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.133">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.15842"
                           xFract="0.01877014"
                           y3="4.03924"
                           yFract="0.47858294"
                           z3="10.36899"
                           zFract="0.46665122"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03533"
                           xFract="-0.00418602"
                           y3="6.43689"
                           yFract="0.76266469"
                           z3="8.48871"
                           zFract="0.38203015"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33681"
                           xFract="0.75080687"
                           y3="0.00987"
                           yFract="0.00116943"
                           z3="4.25114"
                           zFract="0.19132043"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.12893"
                           xFract="0.01527607"
                           y3="2.04924"
                           yFract="0.24280095"
                           z3="8.90764"
                           zFract="0.40088389"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35684"
                           xFract="0.75318009"
                           y3="6.32482"
                           yFract="0.74938626"
                           z3="6.38571"
                           zFract="0.28738569"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20214"
                           xFract="0.49788389"
                           y3="6.33881"
                           yFract="0.75104384"
                           z3="4.23684"
                           zFract="0.19067687"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42082"
                           xFract="0.99772749"
                           y3="0.06393"
                           yFract="0.00757464"
                           z3="6.3713"
                           zFract="0.28673717"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41732"
                           xFract="0.9973128"
                           y3="2.10761"
                           yFract="0.24971682"
                           z3="4.20227"
                           zFract="0.18912106"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14086"
                           xFract="0.2536564"
                           y3="4.20962"
                           yFract="0.49877014"
                           z3="8.5134"
                           zFract="0.38314131"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08984"
                           xFract="0.24761137"
                           y3="4.21102"
                           yFract="0.49893602"
                           z3="4.26699"
                           zFract="0.19203375"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06964"
                           xFract="0.24521801"
                           y3="6.34554"
                           yFract="0.75184123"
                           z3="6.38995"
                           zFract="0.28757651"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09547"
                           xFract="0.24827844"
                           y3="0.00665"
                           yFract="0.00078791"
                           z3="4.22775"
                           zFract="0.19026778"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25305"
                           xFract="0.50391588"
                           y3="0.03503"
                           yFract="0.00415047"
                           z3="6.32897"
                           zFract="0.28483213"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35219"
                           xFract="0.75262915"
                           y3="2.12839"
                           yFract="0.25217891"
                           z3="6.37772"
                           zFract="0.2870261"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.43535"
                           xFract="0.76248223"
                           y3="4.11404"
                           yFract="0.4874455"
                           z3="8.63964"
                           zFract="0.38882268"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25069"
                           xFract="0.50363626"
                           y3="2.15744"
                           yFract="0.25562085"
                           z3="8.57906"
                           zFract="0.38609631"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42356"
                           xFract="0.99805213"
                           y3="6.31189"
                           yFract="0.74785427"
                           z3="4.26582"
                           zFract="0.1919811"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39869"
                           xFract="0.99510545"
                           y3="4.19014"
                           yFract="0.49646209"
                           z3="6.41402"
                           zFract="0.28865977"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21587"
                           xFract="0.49951066"
                           y3="2.11519"
                           yFract="0.25061493"
                           z3="4.21858"
                           zFract="0.18985509"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03504"
                           xFract="0.24111848"
                           y3="2.09508"
                           yFract="0.24823223"
                           z3="6.41786"
                           zFract="0.28883258"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35763"
                           xFract="0.7532737"
                           y3="4.2123"
                           yFract="0.49908768"
                           z3="4.2516"
                           zFract="0.19134113"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.3693"
                           xFract="0.51768957"
                           y3="6.31137"
                           yFract="0.74779265"
                           z3="8.49359"
                           zFract="0.38224977"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26765"
                           xFract="0.50564573"
                           y3="4.17753"
                           yFract="0.49496801"
                           z3="6.43341"
                           zFract="0.2895324"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16957"
                           xFract="0.25705806"
                           y3="-0.01835"
                           yFract="-0.00217417"
                           z3="8.4614"
                           zFract="0.38080108"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32788"
                           xFract="0.74974882"
                           y3="0.29868"
                           yFract="0.03538863"
                           z3="8.48864"
                           zFract="0.382027"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27065"
                           xFract="0.97993483"
                           y3="2.04236"
                           yFract="0.24198578"
                           z3="6.22437"
                           zFract="0.28012466"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15478"
                           xFract="0.25530569"
                           y3="8.43724"
                           yFract="0.99967299"
                           z3="6.31625"
                           zFract="0.28425968"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00154"
                           xFract="-0.00018246"
                           y3="-0.00378"
                           yFract="-0.00044787"
                           z3="4.25954"
                           zFract="0.19169847"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3663"
                           xFract="0.99126777"
                           y3="0.15224"
                           yFract="0.01803791"
                           z3="8.41314"
                           zFract="0.37862916"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11063"
                           xFract="0.25007464"
                           y3="2.11436"
                           yFract="0.25051659"
                           z3="4.28567"
                           zFract="0.19287444"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99865"
                           xFract="0.23680687"
                           y3="2.00649"
                           yFract="0.23773578"
                           z3="8.53235"
                           zFract="0.38399415"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40058"
                           xFract="0.52139573"
                           y3="2.10935"
                           yFract="0.24992299"
                           z3="6.28594"
                           zFract="0.28289559"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33232"
                           xFract="0.75027488"
                           y3="8.35427"
                           yFract="0.98984242"
                           z3="6.32476"
                           zFract="0.28464266"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21253"
                           xFract="0.49911493"
                           y3="8.31153"
                           yFract="0.98477844"
                           z3="4.21319"
                           zFract="0.18961251"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34125"
                           xFract="0.51436611"
                           y3="-0.01742"
                           yFract="-0.00206398"
                           z3="8.48066"
                           zFract="0.38166787"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30448"
                           xFract="0.7469763"
                           y3="2.07289"
                           yFract="0.24560308"
                           z3="4.04534"
                           zFract="0.18205851"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71694"
                           xFract="0.79584597"
                           y3="2.23196"
                           yFract="0.26445024"
                           z3="9.06218"
                           zFract="0.40783888"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41571"
                           xFract="0.99712204"
                           y3="6.47564"
                           yFract="0.76725592"
                           z3="6.40231"
                           zFract="0.28813276"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94547"
                           xFract="0.23050592"
                           y3="4.23823"
                           yFract="0.50215995"
                           z3="6.4525"
                           zFract="0.29039154"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0215"
                           xFract="0.00254739"
                           y3="4.20249"
                           yFract="0.49792536"
                           z3="4.12167"
                           zFract="0.1854937"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.3768"
                           xFract="0.04464455"
                           y3="3.9319"
                           yFract="0.46586493"
                           z3="9.42334"
                           zFract="0.42409271"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20547"
                           xFract="0.26131161"
                           y3="6.32426"
                           yFract="0.74931991"
                           z3="4.29626"
                           zFract="0.19335104"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01898"
                           xFract="0.23921564"
                           y3="6.3878"
                           yFract="0.75684834"
                           z3="8.49154"
                           zFract="0.38215752"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22591"
                           xFract="0.50070024"
                           y3="6.33912"
                           yFract="0.75108057"
                           z3="6.29747"
                           zFract="0.28341449"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43081"
                           xFract="0.76194431"
                           y3="4.29732"
                           yFract="0.50916114"
                           z3="6.32185"
                           zFract="0.2845117"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18868"
                           xFract="0.4962891"
                           y3="4.36911"
                           yFract="0.51766706"
                           z3="4.29784"
                           zFract="0.19342214"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14252"
                           xFract="0.49081991"
                           y3="4.23799"
                           yFract="0.50213152"
                           z3="8.52093"
                           zFract="0.3834802"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18821"
                           xFract="0.73320024"
                           y3="6.36272"
                           yFract="0.75387678"
                           z3="4.23315"
                           zFract="0.1905108"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46239"
                           xFract="0.76568602"
                           y3="6.13167"
                           yFract="0.72650118"
                           z3="8.46462"
                           zFract="0.38094599"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.134">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16318"
                           xFract="0.01933412"
                           y3="4.03532"
                           yFract="0.47811848"
                           z3="10.37514"
                           zFract="0.46692799"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03834"
                           xFract="-0.00454265"
                           y3="6.43812"
                           yFract="0.76281043"
                           z3="8.48633"
                           zFract="0.38192304"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33673"
                           xFract="0.75079739"
                           y3="0.01086"
                           yFract="0.00128673"
                           z3="4.25063"
                           zFract="0.19129748"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13983"
                           xFract="0.01656754"
                           y3="2.04458"
                           yFract="0.24224882"
                           z3="8.9105"
                           zFract="0.4010126"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35935"
                           xFract="0.75347749"
                           y3="6.32589"
                           yFract="0.74951303"
                           z3="6.38624"
                           zFract="0.28740954"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.19875"
                           xFract="0.49748223"
                           y3="6.34108"
                           yFract="0.7513128"
                           z3="4.23405"
                           zFract="0.19055131"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42196"
                           xFract="0.99786256"
                           y3="0.06046"
                           yFract="0.00716351"
                           z3="6.36977"
                           zFract="0.28666832"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41724"
                           xFract="0.99730332"
                           y3="2.10715"
                           yFract="0.24966232"
                           z3="4.19977"
                           zFract="0.18900855"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14459"
                           xFract="0.25409834"
                           y3="4.21084"
                           yFract="0.49891469"
                           z3="8.51258"
                           zFract="0.38310441"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08975"
                           xFract="0.24760071"
                           y3="4.21009"
                           yFract="0.49882583"
                           z3="4.2672"
                           zFract="0.1920432"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06881"
                           xFract="0.24511967"
                           y3="6.34421"
                           yFract="0.75168365"
                           z3="6.38652"
                           zFract="0.28742214"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09514"
                           xFract="0.24823934"
                           y3="0.00626"
                           yFract="0.00074171"
                           z3="4.22872"
                           zFract="0.19031143"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25349"
                           xFract="0.50396801"
                           y3="0.03544"
                           yFract="0.00419905"
                           z3="6.32707"
                           zFract="0.28474662"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35214"
                           xFract="0.75262322"
                           y3="2.12864"
                           yFract="0.25220853"
                           z3="6.37519"
                           zFract="0.28691224"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44159"
                           xFract="0.76322156"
                           y3="4.11437"
                           yFract="0.4874846"
                           z3="8.64002"
                           zFract="0.38883978"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24643"
                           xFract="0.50313152"
                           y3="2.1603"
                           yFract="0.25595972"
                           z3="8.57716"
                           zFract="0.3860108"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4246"
                           xFract="0.99817536"
                           y3="6.3136"
                           yFract="0.74805687"
                           z3="4.26651"
                           zFract="0.19201215"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39853"
                           xFract="0.99508649"
                           y3="4.18987"
                           yFract="0.49643009"
                           z3="6.41543"
                           zFract="0.28872322"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21479"
                           xFract="0.4993827"
                           y3="2.11419"
                           yFract="0.25049645"
                           z3="4.21765"
                           zFract="0.18981323"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03585"
                           xFract="0.24121445"
                           y3="2.09398"
                           yFract="0.2481019"
                           z3="6.41862"
                           zFract="0.28886679"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35816"
                           xFract="0.75333649"
                           y3="4.21123"
                           yFract="0.4989609"
                           z3="4.25143"
                           zFract="0.19133348"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37674"
                           xFract="0.51857109"
                           y3="6.30992"
                           yFract="0.74762085"
                           z3="8.4943"
                           zFract="0.38228173"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26757"
                           xFract="0.50563626"
                           y3="4.17598"
                           yFract="0.49478436"
                           z3="6.43483"
                           zFract="0.28959631"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16981"
                           xFract="0.25708649"
                           y3="-0.01835"
                           yFract="-0.00217417"
                           z3="8.46074"
                           zFract="0.38077138"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32581"
                           xFract="0.74950355"
                           y3="0.30666"
                           yFract="0.03633412"
                           z3="8.48599"
                           zFract="0.38190774"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26983"
                           xFract="0.97983768"
                           y3="2.04522"
                           yFract="0.24232464"
                           z3="6.22674"
                           zFract="0.28023132"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15449"
                           xFract="0.25527133"
                           y3="8.43691"
                           yFract="0.99963389"
                           z3="6.31769"
                           zFract="0.28432448"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0012"
                           xFract="-0.00014218"
                           y3="-0.00592"
                           yFract="-0.00070142"
                           z3="4.26042"
                           zFract="0.19173807"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36664"
                           xFract="0.99130806"
                           y3="0.15516"
                           yFract="0.01838389"
                           z3="8.41383"
                           zFract="0.37866022"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11002"
                           xFract="0.25000237"
                           y3="2.1149"
                           yFract="0.25058057"
                           z3="4.28335"
                           zFract="0.19277003"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99978"
                           xFract="0.23694076"
                           y3="2.00465"
                           yFract="0.23751777"
                           z3="8.53392"
                           zFract="0.38406481"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40153"
                           xFract="0.52150829"
                           y3="2.10974"
                           yFract="0.24996919"
                           z3="6.28754"
                           zFract="0.2829676"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33273"
                           xFract="0.75032346"
                           y3="8.35326"
                           yFract="0.98972275"
                           z3="6.32582"
                           zFract="0.28469037"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21297"
                           xFract="0.49916706"
                           y3="8.31019"
                           yFract="0.98461967"
                           z3="4.21249"
                           zFract="0.18958101"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34276"
                           xFract="0.51454502"
                           y3="-0.02005"
                           yFract="-0.00237559"
                           z3="8.48135"
                           zFract="0.38169892"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30632"
                           xFract="0.74719431"
                           y3="2.07197"
                           yFract="0.24549408"
                           z3="4.04469"
                           zFract="0.18202925"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72018"
                           xFract="0.79622986"
                           y3="2.23701"
                           yFract="0.26504858"
                           z3="9.07037"
                           zFract="0.40820747"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41408"
                           xFract="0.99692891"
                           y3="6.47763"
                           yFract="0.76749171"
                           z3="6.40157"
                           zFract="0.28809946"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94532"
                           xFract="0.23048815"
                           y3="4.23878"
                           yFract="0.50222512"
                           z3="6.45368"
                           zFract="0.29044464"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02168"
                           xFract="0.00256872"
                           y3="4.20223"
                           yFract="0.49789455"
                           z3="4.12171"
                           zFract="0.1854955"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38201"
                           xFract="0.04526185"
                           y3="3.92906"
                           yFract="0.46552844"
                           z3="9.43241"
                           zFract="0.4245009"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20778"
                           xFract="0.26158531"
                           y3="6.32284"
                           yFract="0.74915166"
                           z3="4.29681"
                           zFract="0.19337579"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01631"
                           xFract="0.23889929"
                           y3="6.38644"
                           yFract="0.7566872"
                           z3="8.49229"
                           zFract="0.38219127"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22591"
                           xFract="0.50070024"
                           y3="6.3391"
                           yFract="0.7510782"
                           z3="6.29727"
                           zFract="0.28340549"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42987"
                           xFract="0.76183294"
                           y3="4.29717"
                           yFract="0.50914336"
                           z3="6.32185"
                           zFract="0.2845117"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18884"
                           xFract="0.49630806"
                           y3="4.36774"
                           yFract="0.51750474"
                           z3="4.29853"
                           zFract="0.1934532"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1417"
                           xFract="0.49072275"
                           y3="4.23921"
                           yFract="0.50227607"
                           z3="8.52001"
                           zFract="0.38343879"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1880"
                           xFract="0.73317536"
                           y3="6.3623"
                           yFract="0.75382701"
                           z3="4.23234"
                           zFract="0.19047435"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46508"
                           xFract="0.76600474"
                           y3="6.12756"
                           yFract="0.72601422"
                           z3="8.46313"
                           zFract="0.38087894"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.135">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16008"
                           xFract="0.01896682"
                           y3="4.03787"
                           yFract="0.47842062"
                           z3="10.37114"
                           zFract="0.46674797"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03638"
                           xFract="-0.00431043"
                           y3="6.43732"
                           yFract="0.76271564"
                           z3="8.48788"
                           zFract="0.3819928"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33678"
                           xFract="0.75080332"
                           y3="0.01022"
                           yFract="0.0012109"
                           z3="4.25096"
                           zFract="0.19131233"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13273"
                           xFract="0.0157263"
                           y3="2.04762"
                           yFract="0.242609"
                           z3="8.90864"
                           zFract="0.40092889"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35772"
                           xFract="0.75328436"
                           y3="6.32519"
                           yFract="0.74943009"
                           z3="6.3859"
                           zFract="0.28739424"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20096"
                           xFract="0.49774408"
                           y3="6.3396"
                           yFract="0.75113744"
                           z3="4.23587"
                           zFract="0.19063321"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42122"
                           xFract="0.99777488"
                           y3="0.06272"
                           yFract="0.00743128"
                           z3="6.37077"
                           zFract="0.28671332"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41729"
                           xFract="0.99730924"
                           y3="2.10745"
                           yFract="0.24969787"
                           z3="4.2014"
                           zFract="0.18908191"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14216"
                           xFract="0.25381043"
                           y3="4.21005"
                           yFract="0.49882109"
                           z3="8.51311"
                           zFract="0.38312826"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08981"
                           xFract="0.24760782"
                           y3="4.21069"
                           yFract="0.49889692"
                           z3="4.26706"
                           zFract="0.1920369"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06935"
                           xFract="0.24518365"
                           y3="6.34508"
                           yFract="0.75178673"
                           z3="6.38875"
                           zFract="0.2875225"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09536"
                           xFract="0.2482654"
                           y3="0.00652"
                           yFract="0.00077251"
                           z3="4.22809"
                           zFract="0.19028308"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25321"
                           xFract="0.50393483"
                           y3="0.03517"
                           yFract="0.00416706"
                           z3="6.32831"
                           zFract="0.28480243"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35217"
                           xFract="0.75262678"
                           y3="2.12848"
                           yFract="0.25218957"
                           z3="6.37684"
                           zFract="0.2869865"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.43753"
                           xFract="0.76274052"
                           y3="4.11415"
                           yFract="0.48745853"
                           z3="8.63977"
                           zFract="0.38882853"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24921"
                           xFract="0.5034609"
                           y3="2.15844"
                           yFract="0.25573934"
                           z3="8.5784"
                           zFract="0.38606661"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42392"
                           xFract="0.99809479"
                           y3="6.31249"
                           yFract="0.74792536"
                           z3="4.26606"
                           zFract="0.1919919"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39863"
                           xFract="0.99509834"
                           y3="4.19004"
                           yFract="0.49645024"
                           z3="6.41451"
                           zFract="0.28868182"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2155"
                           xFract="0.49946682"
                           y3="2.11484"
                           yFract="0.25057346"
                           z3="4.21826"
                           zFract="0.18984068"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03533"
                           xFract="0.24115284"
                           y3="2.0947"
                           yFract="0.2481872"
                           z3="6.41813"
                           zFract="0.28884473"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35781"
                           xFract="0.75329502"
                           y3="4.21193"
                           yFract="0.49904384"
                           z3="4.25154"
                           zFract="0.19133843"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37189"
                           xFract="0.51799645"
                           y3="6.31086"
                           yFract="0.74773223"
                           z3="8.49384"
                           zFract="0.38226103"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26762"
                           xFract="0.50564218"
                           y3="4.17699"
                           yFract="0.49490403"
                           z3="6.4339"
                           zFract="0.28955446"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16965"
                           xFract="0.25706754"
                           y3="-0.01835"
                           yFract="-0.00217417"
                           z3="8.46117"
                           zFract="0.38079073"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32716"
                           xFract="0.74966351"
                           y3="0.30146"
                           yFract="0.03571801"
                           z3="8.48772"
                           zFract="0.3819856"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27036"
                           xFract="0.97990047"
                           y3="2.04336"
                           yFract="0.24210427"
                           z3="6.22519"
                           zFract="0.28016157"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15468"
                           xFract="0.25529384"
                           y3="8.43712"
                           yFract="0.99965877"
                           z3="6.31675"
                           zFract="0.28428218"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00142"
                           xFract="-0.00016825"
                           y3="-0.00453"
                           yFract="-0.00053673"
                           z3="4.25984"
                           zFract="0.19171197"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36642"
                           xFract="0.99128199"
                           y3="0.15326"
                           yFract="0.01815877"
                           z3="8.41338"
                           zFract="0.37863996"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11041"
                           xFract="0.25004858"
                           y3="2.11455"
                           yFract="0.2505391"
                           z3="4.28486"
                           zFract="0.19283798"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99905"
                           xFract="0.23685427"
                           y3="2.00585"
                           yFract="0.23765995"
                           z3="8.5329"
                           zFract="0.3840189"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40091"
                           xFract="0.52143483"
                           y3="2.10949"
                           yFract="0.24993957"
                           z3="6.2865"
                           zFract="0.28292079"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33246"
                           xFract="0.75029147"
                           y3="8.35392"
                           yFract="0.98980095"
                           z3="6.32513"
                           zFract="0.28465932"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21268"
                           xFract="0.4991327"
                           y3="8.31106"
                           yFract="0.98472275"
                           z3="4.21295"
                           zFract="0.18960171"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34178"
                           xFract="0.51442891"
                           y3="-0.01834"
                           yFract="-0.00217299"
                           z3="8.4809"
                           zFract="0.38167867"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30512"
                           xFract="0.74705213"
                           y3="2.07257"
                           yFract="0.24556517"
                           z3="4.04511"
                           zFract="0.18204815"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71807"
                           xFract="0.79597986"
                           y3="2.23372"
                           yFract="0.26465877"
                           z3="9.06503"
                           zFract="0.40796715"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41514"
                           xFract="0.9970545"
                           y3="6.47633"
                           yFract="0.76733768"
                           z3="6.40205"
                           zFract="0.28812106"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94542"
                           xFract="0.2305"
                           y3="4.23842"
                           yFract="0.50218246"
                           z3="6.45291"
                           zFract="0.29040999"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02156"
                           xFract="0.0025545"
                           y3="4.2024"
                           yFract="0.49791469"
                           z3="4.12168"
                           zFract="0.18549415"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.37861"
                           xFract="0.044859"
                           y3="3.93091"
                           yFract="0.46574763"
                           z3="9.4265"
                           zFract="0.42423492"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20628"
                           xFract="0.26140758"
                           y3="6.32376"
                           yFract="0.74926066"
                           z3="4.29645"
                           zFract="0.19335959"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01805"
                           xFract="0.23910545"
                           y3="6.38733"
                           yFract="0.75679265"
                           z3="8.4918"
                           zFract="0.38216922"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22591"
                           xFract="0.50070024"
                           y3="6.33912"
                           yFract="0.75108057"
                           z3="6.2974"
                           zFract="0.28341134"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43048"
                           xFract="0.76190521"
                           y3="4.29726"
                           yFract="0.50915403"
                           z3="6.32185"
                           zFract="0.2845117"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18874"
                           xFract="0.49629621"
                           y3="4.36863"
                           yFract="0.51761019"
                           z3="4.29808"
                           zFract="0.19343294"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14224"
                           xFract="0.49078673"
                           y3="4.23842"
                           yFract="0.50218246"
                           z3="8.52061"
                           zFract="0.3834658"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18813"
                           xFract="0.73319076"
                           y3="6.36257"
                           yFract="0.753859"
                           z3="4.23287"
                           zFract="0.1904982"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46333"
                           xFract="0.76579739"
                           y3="6.13024"
                           yFract="0.72633175"
                           z3="8.4641"
                           zFract="0.38092259"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.136">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16098"
                           xFract="0.01907346"
                           y3="4.03712"
                           yFract="0.47833175"
                           z3="10.37058"
                           zFract="0.46672277"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03642"
                           xFract="-0.00431517"
                           y3="6.43751"
                           yFract="0.76273815"
                           z3="8.48759"
                           zFract="0.38197975"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33675"
                           xFract="0.75079976"
                           y3="0.01016"
                           yFract="0.00120379"
                           z3="4.25087"
                           zFract="0.19130828"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13207"
                           xFract="0.0156481"
                           y3="2.04792"
                           yFract="0.24264455"
                           z3="8.90949"
                           zFract="0.40096715"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35765"
                           xFract="0.75327607"
                           y3="6.32504"
                           yFract="0.74941232"
                           z3="6.38556"
                           zFract="0.28737894"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20151"
                           xFract="0.49780924"
                           y3="6.33917"
                           yFract="0.75108649"
                           z3="4.2359"
                           zFract="0.19063456"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42128"
                           xFract="0.99778199"
                           y3="0.06283"
                           yFract="0.00744431"
                           z3="6.37059"
                           zFract="0.28670522"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41732"
                           xFract="0.9973128"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.20105"
                           zFract="0.18906616"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14229"
                           xFract="0.25382583"
                           y3="4.21057"
                           yFract="0.4988827"
                           z3="8.51325"
                           zFract="0.38313456"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08982"
                           xFract="0.247609"
                           y3="4.21044"
                           yFract="0.4988673"
                           z3="4.26708"
                           zFract="0.1920378"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06935"
                           xFract="0.24518365"
                           y3="6.34491"
                           yFract="0.75176659"
                           z3="6.38878"
                           zFract="0.28752385"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0952"
                           xFract="0.24824645"
                           y3="0.00666"
                           yFract="0.0007891"
                           z3="4.22812"
                           zFract="0.19028443"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25329"
                           xFract="0.50394431"
                           y3="0.03508"
                           yFract="0.0041564"
                           z3="6.32823"
                           zFract="0.28479883"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35222"
                           xFract="0.7526327"
                           y3="2.12843"
                           yFract="0.25218365"
                           z3="6.37682"
                           zFract="0.2869856"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.43862"
                           xFract="0.76286967"
                           y3="4.11406"
                           yFract="0.48744787"
                           z3="8.63977"
                           zFract="0.38882853"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24875"
                           xFract="0.5034064"
                           y3="2.15878"
                           yFract="0.25577962"
                           z3="8.57811"
                           zFract="0.38605356"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42397"
                           xFract="0.99810071"
                           y3="6.31265"
                           yFract="0.74794431"
                           z3="4.26609"
                           zFract="0.19199325"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39856"
                           xFract="0.99509005"
                           y3="4.18984"
                           yFract="0.49642654"
                           z3="6.41471"
                           zFract="0.28869082"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21534"
                           xFract="0.49944787"
                           y3="2.11486"
                           yFract="0.25057583"
                           z3="4.21823"
                           zFract="0.18983933"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03531"
                           xFract="0.24115047"
                           y3="2.09471"
                           yFract="0.24818839"
                           z3="6.41821"
                           zFract="0.28884833"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35784"
                           xFract="0.75329858"
                           y3="4.21189"
                           yFract="0.4990391"
                           z3="4.25166"
                           zFract="0.19134383"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37267"
                           xFract="0.51808886"
                           y3="6.31078"
                           yFract="0.74772275"
                           z3="8.49405"
                           zFract="0.38227048"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26767"
                           xFract="0.5056481"
                           y3="4.17699"
                           yFract="0.49490403"
                           z3="6.43392"
                           zFract="0.28955536"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16982"
                           xFract="0.25708768"
                           y3="-0.01876"
                           yFract="-0.00222275"
                           z3="8.46093"
                           zFract="0.38077993"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32703"
                           xFract="0.7496481"
                           y3="0.30253"
                           yFract="0.03584479"
                           z3="8.48748"
                           zFract="0.3819748"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2705"
                           xFract="0.97991706"
                           y3="2.04353"
                           yFract="0.24212441"
                           z3="6.22529"
                           zFract="0.28016607"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1546"
                           xFract="0.25528436"
                           y3="8.43698"
                           yFract="0.99964218"
                           z3="6.31681"
                           zFract="0.28428488"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00137"
                           xFract="-0.00016232"
                           y3="-0.00463"
                           yFract="-0.00054858"
                           z3="4.25989"
                           zFract="0.19171422"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36641"
                           xFract="0.99128081"
                           y3="0.15352"
                           yFract="0.01818957"
                           z3="8.41339"
                           zFract="0.37864041"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11042"
                           xFract="0.25004976"
                           y3="2.11454"
                           yFract="0.25053791"
                           z3="4.28474"
                           zFract="0.19283258"/>
                     <atom elementType="O"
                           id="a51"
                           x3="1.99979"
                           xFract="0.23694194"
                           y3="2.00558"
                           yFract="0.23762796"
                           z3="8.53294"
                           zFract="0.3840207"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40103"
                           xFract="0.52144905"
                           y3="2.10935"
                           yFract="0.24992299"
                           z3="6.2867"
                           zFract="0.28292979"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33253"
                           xFract="0.75029976"
                           y3="8.35379"
                           yFract="0.98978555"
                           z3="6.32508"
                           zFract="0.28465707"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21252"
                           xFract="0.49911374"
                           y3="8.31113"
                           yFract="0.98473104"
                           z3="4.21274"
                           zFract="0.18959226"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34185"
                           xFract="0.5144372"
                           y3="-0.01849"
                           yFract="-0.00219076"
                           z3="8.48098"
                           zFract="0.38168227"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30511"
                           xFract="0.74705095"
                           y3="2.07249"
                           yFract="0.24555569"
                           z3="4.04509"
                           zFract="0.18204725"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.71939"
                           xFract="0.79613626"
                           y3="2.2338"
                           yFract="0.26466825"
                           z3="9.06585"
                           zFract="0.40800405"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41504"
                           xFract="0.99704265"
                           y3="6.47644"
                           yFract="0.76735071"
                           z3="6.40215"
                           zFract="0.28812556"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94541"
                           xFract="0.23049882"
                           y3="4.23852"
                           yFract="0.50219431"
                           z3="6.45292"
                           zFract="0.29041044"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02166"
                           xFract="0.00256635"
                           y3="4.20239"
                           yFract="0.49791351"
                           z3="4.12177"
                           zFract="0.1854982"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.37919"
                           xFract="0.04492773"
                           y3="3.93053"
                           yFract="0.46570261"
                           z3="9.42868"
                           zFract="0.42433303"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20613"
                           xFract="0.26138981"
                           y3="6.32377"
                           yFract="0.74926185"
                           z3="4.29632"
                           zFract="0.19335374"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01769"
                           xFract="0.2390628"
                           y3="6.38734"
                           yFract="0.75679384"
                           z3="8.49172"
                           zFract="0.38216562"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22601"
                           xFract="0.50071209"
                           y3="6.33924"
                           yFract="0.75109479"
                           z3="6.29718"
                           zFract="0.28340144"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43043"
                           xFract="0.76189929"
                           y3="4.29725"
                           yFract="0.50915284"
                           z3="6.32191"
                           zFract="0.2845144"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18869"
                           xFract="0.49629028"
                           y3="4.36878"
                           yFract="0.51762796"
                           z3="4.29809"
                           zFract="0.19343339"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14233"
                           xFract="0.49079739"
                           y3="4.23846"
                           yFract="0.5021872"
                           z3="8.52061"
                           zFract="0.3834658"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18797"
                           xFract="0.7331718"
                           y3="6.3627"
                           yFract="0.75387441"
                           z3="4.23263"
                           zFract="0.1904874"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46341"
                           xFract="0.76580687"
                           y3="6.12969"
                           yFract="0.72626659"
                           z3="8.46395"
                           zFract="0.38091584"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.137">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16247"
                           xFract="0.01925"
                           y3="4.03587"
                           yFract="0.47818365"
                           z3="10.36966"
                           zFract="0.46668137"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03648"
                           xFract="-0.00432227"
                           y3="6.43783"
                           yFract="0.76277607"
                           z3="8.48711"
                           zFract="0.38195815"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3367"
                           xFract="0.75079384"
                           y3="0.01008"
                           yFract="0.00119431"
                           z3="4.25072"
                           zFract="0.19130153"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13098"
                           xFract="0.01551896"
                           y3="2.04844"
                           yFract="0.24270616"
                           z3="8.91092"
                           zFract="0.4010315"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35754"
                           xFract="0.75326303"
                           y3="6.32478"
                           yFract="0.74938152"
                           z3="6.38499"
                           zFract="0.28735329"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20242"
                           xFract="0.49791706"
                           y3="6.33845"
                           yFract="0.75100118"
                           z3="4.23597"
                           zFract="0.19063771"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42139"
                           xFract="0.99779502"
                           y3="0.06301"
                           yFract="0.00746564"
                           z3="6.37029"
                           zFract="0.28669172"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41735"
                           xFract="0.99731635"
                           y3="2.1070"
                           yFract="0.24964455"
                           z3="4.20049"
                           zFract="0.18904095"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1425"
                           xFract="0.25385071"
                           y3="4.21144"
                           yFract="0.49898578"
                           z3="8.51348"
                           zFract="0.38314491"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08983"
                           xFract="0.24761019"
                           y3="4.21003"
                           yFract="0.49881872"
                           z3="4.26712"
                           zFract="0.1920396"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06936"
                           xFract="0.24518483"
                           y3="6.34462"
                           yFract="0.75173223"
                           z3="6.38881"
                           zFract="0.2875252"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09493"
                           xFract="0.24821445"
                           y3="0.00689"
                           yFract="0.00081635"
                           z3="4.22818"
                           zFract="0.19028713"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25343"
                           xFract="0.5039609"
                           y3="0.03493"
                           yFract="0.00413863"
                           z3="6.32811"
                           zFract="0.28479343"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3523"
                           xFract="0.75264218"
                           y3="2.12834"
                           yFract="0.25217299"
                           z3="6.3768"
                           zFract="0.2869847"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44045"
                           xFract="0.76308649"
                           y3="4.11391"
                           yFract="0.48743009"
                           z3="8.63976"
                           zFract="0.38882808"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24799"
                           xFract="0.50331635"
                           y3="2.15934"
                           yFract="0.25584597"
                           z3="8.57762"
                           zFract="0.3860315"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42405"
                           xFract="0.99811019"
                           y3="6.31293"
                           yFract="0.74797749"
                           z3="4.26613"
                           zFract="0.19199505"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39843"
                           xFract="0.99507464"
                           y3="4.1895"
                           yFract="0.49638626"
                           z3="6.41504"
                           zFract="0.28870567"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21509"
                           xFract="0.49941825"
                           y3="2.1149"
                           yFract="0.25058057"
                           z3="4.21819"
                           zFract="0.18983753"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03529"
                           xFract="0.2411481"
                           y3="2.09472"
                           yFract="0.24818957"
                           z3="6.41835"
                           zFract="0.28885464"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35787"
                           xFract="0.75330213"
                           y3="4.21182"
                           yFract="0.49903081"
                           z3="4.25187"
                           zFract="0.19135329"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37396"
                           xFract="0.51824171"
                           y3="6.31064"
                           yFract="0.74770616"
                           z3="8.49441"
                           zFract="0.38228668"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26775"
                           xFract="0.50565758"
                           y3="4.17698"
                           yFract="0.49490284"
                           z3="6.43395"
                           zFract="0.28955671"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17011"
                           xFract="0.25712204"
                           y3="-0.01945"
                           yFract="-0.0023045"
                           z3="8.46053"
                           zFract="0.38076193"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32682"
                           xFract="0.74962322"
                           y3="0.3043"
                           yFract="0.0360545"
                           z3="8.48708"
                           zFract="0.3819568"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27074"
                           xFract="0.9799455"
                           y3="2.04381"
                           yFract="0.24215758"
                           z3="6.22544"
                           zFract="0.28017282"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15447"
                           xFract="0.25526896"
                           y3="8.43675"
                           yFract="0.99961493"
                           z3="6.3169"
                           zFract="0.28428893"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00128"
                           xFract="-0.00015166"
                           y3="-0.00479"
                           yFract="-0.00056754"
                           z3="4.25996"
                           zFract="0.19171737"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36639"
                           xFract="0.99127844"
                           y3="0.15394"
                           yFract="0.01823934"
                           z3="8.41339"
                           zFract="0.37864041"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11044"
                           xFract="0.25005213"
                           y3="2.11454"
                           yFract="0.25053791"
                           z3="4.28454"
                           zFract="0.19282358"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00104"
                           xFract="0.23709005"
                           y3="2.00512"
                           yFract="0.23757346"
                           z3="8.5330"
                           zFract="0.3840234"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40124"
                           xFract="0.52147393"
                           y3="2.10913"
                           yFract="0.24989692"
                           z3="6.28703"
                           zFract="0.28294464"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33264"
                           xFract="0.7503128"
                           y3="8.35359"
                           yFract="0.98976185"
                           z3="6.3250"
                           zFract="0.28465347"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21225"
                           xFract="0.49908175"
                           y3="8.31123"
                           yFract="0.98474289"
                           z3="4.21239"
                           zFract="0.18957651"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34197"
                           xFract="0.51445142"
                           y3="-0.01874"
                           yFract="-0.00222038"
                           z3="8.48111"
                           zFract="0.38168812"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3051"
                           xFract="0.74704976"
                           y3="2.07236"
                           yFract="0.24554028"
                           z3="4.04507"
                           zFract="0.18204635"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72159"
                           xFract="0.79639692"
                           y3="2.23394"
                           yFract="0.26468483"
                           z3="9.06722"
                           zFract="0.40806571"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41486"
                           xFract="0.99702133"
                           y3="6.47662"
                           yFract="0.76737204"
                           z3="6.40232"
                           zFract="0.28813321"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9454"
                           xFract="0.23049763"
                           y3="4.23868"
                           yFract="0.50221327"
                           z3="6.45292"
                           zFract="0.29041044"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02182"
                           xFract="0.00258531"
                           y3="4.20239"
                           yFract="0.49791351"
                           z3="4.12191"
                           zFract="0.1855045"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38015"
                           xFract="0.04504147"
                           y3="3.92989"
                           yFract="0.46562678"
                           z3="9.4323"
                           zFract="0.42449595"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20588"
                           xFract="0.26136019"
                           y3="6.32378"
                           yFract="0.74926303"
                           z3="4.29609"
                           zFract="0.19334338"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01711"
                           xFract="0.23899408"
                           y3="6.38737"
                           yFract="0.75679739"
                           z3="8.49158"
                           zFract="0.38215932"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22617"
                           xFract="0.50073104"
                           y3="6.33944"
                           yFract="0.75111848"
                           z3="6.29682"
                           zFract="0.28338524"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43034"
                           xFract="0.76188863"
                           y3="4.29723"
                           yFract="0.50915047"
                           z3="6.32201"
                           zFract="0.2845189"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18861"
                           xFract="0.49628081"
                           y3="4.36902"
                           yFract="0.5176564"
                           z3="4.29812"
                           zFract="0.19343474"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14249"
                           xFract="0.49081635"
                           y3="4.23853"
                           yFract="0.5021955"
                           z3="8.52061"
                           zFract="0.3834658"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18771"
                           xFract="0.733141"
                           y3="6.36292"
                           yFract="0.75390047"
                           z3="4.23224"
                           zFract="0.19046985"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46356"
                           xFract="0.76582464"
                           y3="6.12878"
                           yFract="0.72615877"
                           z3="8.46369"
                           zFract="0.38090414"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.138">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16283"
                           xFract="0.01929265"
                           y3="4.03547"
                           yFract="0.47813626"
                           z3="10.37027"
                           zFract="0.46670882"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03646"
                           xFract="-0.00431991"
                           y3="6.43796"
                           yFract="0.76279147"
                           z3="8.48694"
                           zFract="0.3819505"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33666"
                           xFract="0.7507891"
                           y3="0.01004"
                           yFract="0.00118957"
                           z3="4.25067"
                           zFract="0.19129928"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13048"
                           xFract="0.01545972"
                           y3="2.04874"
                           yFract="0.24274171"
                           z3="8.91157"
                           zFract="0.40106076"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35743"
                           xFract="0.75325"
                           y3="6.32465"
                           yFract="0.74936611"
                           z3="6.38472"
                           zFract="0.28734113"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20283"
                           xFract="0.49796564"
                           y3="6.33813"
                           yFract="0.75096327"
                           z3="4.23604"
                           zFract="0.19064086"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4214"
                           xFract="0.99779621"
                           y3="0.06316"
                           yFract="0.00748341"
                           z3="6.37022"
                           zFract="0.28668857"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41736"
                           xFract="0.99731754"
                           y3="2.10689"
                           yFract="0.24963152"
                           z3="4.20029"
                           zFract="0.18903195"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14247"
                           xFract="0.25384716"
                           y3="4.21183"
                           yFract="0.49903199"
                           z3="8.51364"
                           zFract="0.38315212"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08984"
                           xFract="0.24761137"
                           y3="4.20986"
                           yFract="0.49879858"
                           z3="4.26713"
                           zFract="0.19204005"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06938"
                           xFract="0.2451872"
                           y3="6.34451"
                           yFract="0.75171919"
                           z3="6.38889"
                           zFract="0.2875288"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09483"
                           xFract="0.24820261"
                           y3="0.00699"
                           yFract="0.0008282"
                           z3="4.22818"
                           zFract="0.19028713"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25349"
                           xFract="0.50396801"
                           y3="0.03484"
                           yFract="0.00412796"
                           z3="6.32808"
                           zFract="0.28479208"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35235"
                           xFract="0.7526481"
                           y3="2.12829"
                           yFract="0.25216706"
                           z3="6.37683"
                           zFract="0.28698605"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44124"
                           xFract="0.76318009"
                           y3="4.1138"
                           yFract="0.48741706"
                           z3="8.63974"
                           zFract="0.38882718"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24768"
                           xFract="0.50327962"
                           y3="2.15955"
                           yFract="0.25587085"
                           z3="8.57742"
                           zFract="0.3860225"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42408"
                           xFract="0.99811374"
                           y3="6.31301"
                           yFract="0.74798697"
                           z3="4.26613"
                           zFract="0.19199505"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39838"
                           xFract="0.99506872"
                           y3="4.18933"
                           yFract="0.49636611"
                           z3="6.41517"
                           zFract="0.28871152"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21499"
                           xFract="0.4994064"
                           y3="2.11493"
                           yFract="0.25058412"
                           z3="4.21819"
                           zFract="0.18983753"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03526"
                           xFract="0.24114455"
                           y3="2.09475"
                           yFract="0.24819313"
                           z3="6.41842"
                           zFract="0.28885779"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35789"
                           xFract="0.7533045"
                           y3="4.21181"
                           yFract="0.49902962"
                           z3="4.25196"
                           zFract="0.19135734"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37444"
                           xFract="0.51829858"
                           y3="6.31061"
                           yFract="0.74770261"
                           z3="8.49457"
                           zFract="0.38229388"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26779"
                           xFract="0.50566232"
                           y3="4.17701"
                           yFract="0.4949064"
                           z3="6.43394"
                           zFract="0.28955626"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17024"
                           xFract="0.25713744"
                           y3="-0.01976"
                           yFract="-0.00234123"
                           z3="8.46036"
                           zFract="0.38075428"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32675"
                           xFract="0.74961493"
                           y3="0.30499"
                           yFract="0.03613626"
                           z3="8.48693"
                           zFract="0.38195005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27087"
                           xFract="0.9799609"
                           y3="2.04388"
                           yFract="0.24216588"
                           z3="6.22545"
                           zFract="0.28017327"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15441"
                           xFract="0.25526185"
                           y3="8.43664"
                           yFract="0.9996019"
                           z3="6.3169"
                           zFract="0.28428893"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00125"
                           xFract="-0.0001481"
                           y3="-0.00482"
                           yFract="-0.00057109"
                           z3="4.25998"
                           zFract="0.19171827"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36634"
                           xFract="0.99127251"
                           y3="0.15411"
                           yFract="0.01825948"
                           z3="8.41337"
                           zFract="0.37863951"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11044"
                           xFract="0.25005213"
                           y3="2.11452"
                           yFract="0.25053555"
                           z3="4.2845"
                           zFract="0.19282178"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00155"
                           xFract="0.23715047"
                           y3="2.00493"
                           yFract="0.23755095"
                           z3="8.53302"
                           zFract="0.3840243"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40132"
                           xFract="0.52148341"
                           y3="2.10902"
                           yFract="0.24988389"
                           z3="6.28716"
                           zFract="0.2829505"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33269"
                           xFract="0.75031872"
                           y3="8.3535"
                           yFract="0.98975118"
                           z3="6.32492"
                           zFract="0.28464986"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21211"
                           xFract="0.49906517"
                           y3="8.31129"
                           yFract="0.98475"
                           z3="4.21223"
                           zFract="0.18956931"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34201"
                           xFract="0.51445616"
                           y3="-0.01882"
                           yFract="-0.00222986"
                           z3="8.48116"
                           zFract="0.38169037"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30506"
                           xFract="0.74704502"
                           y3="2.07231"
                           yFract="0.24553436"
                           z3="4.04507"
                           zFract="0.18204635"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72253"
                           xFract="0.79650829"
                           y3="2.23396"
                           yFract="0.2646872"
                           z3="9.06778"
                           zFract="0.40809091"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4148"
                           xFract="0.99701422"
                           y3="6.47667"
                           yFract="0.76737796"
                           z3="6.40241"
                           zFract="0.28813726"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9454"
                           xFract="0.23049763"
                           y3="4.23875"
                           yFract="0.50222156"
                           z3="6.45291"
                           zFract="0.29040999"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02189"
                           xFract="0.0025936"
                           y3="4.2024"
                           yFract="0.49791469"
                           z3="4.12197"
                           zFract="0.1855072"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38085"
                           xFract="0.04512441"
                           y3="3.92949"
                           yFract="0.46557938"
                           z3="9.43277"
                           zFract="0.4245171"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20574"
                           xFract="0.2613436"
                           y3="6.3238"
                           yFract="0.7492654"
                           z3="4.29597"
                           zFract="0.19333798"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01686"
                           xFract="0.23896445"
                           y3="6.3874"
                           yFract="0.75680095"
                           z3="8.4915"
                           zFract="0.38215572"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22626"
                           xFract="0.50074171"
                           y3="6.33953"
                           yFract="0.75112915"
                           z3="6.29664"
                           zFract="0.28337714"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43031"
                           xFract="0.76188507"
                           y3="4.29722"
                           yFract="0.50914929"
                           z3="6.32205"
                           zFract="0.2845207"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18859"
                           xFract="0.49627844"
                           y3="4.36914"
                           yFract="0.51767062"
                           z3="4.29812"
                           zFract="0.19343474"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14259"
                           xFract="0.4908282"
                           y3="4.23855"
                           yFract="0.50219787"
                           z3="8.52062"
                           zFract="0.38346625"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18761"
                           xFract="0.73312915"
                           y3="6.36303"
                           yFract="0.75391351"
                           z3="4.23207"
                           zFract="0.1904622"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46361"
                           xFract="0.76583057"
                           y3="6.1284"
                           yFract="0.72611374"
                           z3="8.46357"
                           zFract="0.38089874"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.139">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1639"
                           xFract="0.01941943"
                           y3="4.03427"
                           yFract="0.47799408"
                           z3="10.3721"
                           zFract="0.46679118"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03641"
                           xFract="-0.00431398"
                           y3="6.43835"
                           yFract="0.76283768"
                           z3="8.48643"
                           zFract="0.38192754"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33657"
                           xFract="0.75077844"
                           y3="0.00992"
                           yFract="0.00117536"
                           z3="4.25052"
                           zFract="0.19129253"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.12899"
                           xFract="0.01528318"
                           y3="2.04967"
                           yFract="0.2428519"
                           z3="8.9135"
                           zFract="0.40114761"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35711"
                           xFract="0.75321209"
                           y3="6.32428"
                           yFract="0.74932227"
                           z3="6.38392"
                           zFract="0.28730513"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20407"
                           xFract="0.49811256"
                           y3="6.33718"
                           yFract="0.75085071"
                           z3="4.23626"
                           zFract="0.19065077"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42145"
                           xFract="0.99780213"
                           y3="0.06363"
                           yFract="0.0075391"
                           z3="6.37001"
                           zFract="0.28667912"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41739"
                           xFract="0.99732109"
                           y3="2.10654"
                           yFract="0.24959005"
                           z3="4.19969"
                           zFract="0.18900495"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14239"
                           xFract="0.25383768"
                           y3="4.21299"
                           yFract="0.49916943"
                           z3="8.51413"
                           zFract="0.38317417"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08985"
                           xFract="0.24761256"
                           y3="4.20937"
                           yFract="0.49874052"
                           z3="4.26717"
                           zFract="0.19204185"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06945"
                           xFract="0.2451955"
                           y3="6.34419"
                           yFract="0.75168128"
                           z3="6.38912"
                           zFract="0.28753915"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09452"
                           xFract="0.24816588"
                           y3="0.00728"
                           yFract="0.00086256"
                           z3="4.22818"
                           zFract="0.19028713"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25365"
                           xFract="0.50398697"
                           y3="0.03457"
                           yFract="0.00409597"
                           z3="6.3280"
                           zFract="0.28478848"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35249"
                           xFract="0.75266469"
                           y3="2.12814"
                           yFract="0.25214929"
                           z3="6.37693"
                           zFract="0.28699055"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44362"
                           xFract="0.76346209"
                           y3="4.1135"
                           yFract="0.48738152"
                           z3="8.63968"
                           zFract="0.38882448"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24676"
                           xFract="0.50317062"
                           y3="2.16018"
                           yFract="0.2559455"
                           z3="8.5768"
                           zFract="0.3859946"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42415"
                           xFract="0.99812204"
                           y3="6.31327"
                           yFract="0.74801777"
                           z3="4.26613"
                           zFract="0.19199505"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39823"
                           xFract="0.99505095"
                           y3="4.18885"
                           yFract="0.49630924"
                           z3="6.41557"
                           zFract="0.28872952"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21471"
                           xFract="0.49937322"
                           y3="2.11503"
                           yFract="0.25059597"
                           z3="4.21819"
                           zFract="0.18983753"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03517"
                           xFract="0.24113389"
                           y3="2.09483"
                           yFract="0.24820261"
                           z3="6.4186"
                           zFract="0.28886589"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35794"
                           xFract="0.75331043"
                           y3="4.21177"
                           yFract="0.49902488"
                           z3="4.25223"
                           zFract="0.19136949"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37589"
                           xFract="0.51847038"
                           y3="6.31051"
                           yFract="0.74769076"
                           z3="8.49504"
                           zFract="0.38231503"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2679"
                           xFract="0.50567536"
                           y3="4.17711"
                           yFract="0.49491825"
                           z3="6.43391"
                           zFract="0.28955491"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17062"
                           xFract="0.25718246"
                           y3="-0.02069"
                           yFract="-0.00245142"
                           z3="8.45983"
                           zFract="0.38073042"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32655"
                           xFract="0.74959123"
                           y3="0.30706"
                           yFract="0.03638152"
                           z3="8.48648"
                           zFract="0.38192979"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27126"
                           xFract="0.98000711"
                           y3="2.0441"
                           yFract="0.24219194"
                           z3="6.22548"
                           zFract="0.28017462"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15423"
                           xFract="0.25524052"
                           y3="8.43633"
                           yFract="0.99956517"
                           z3="6.31691"
                           zFract="0.28428938"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00116"
                           xFract="-0.00013744"
                           y3="-0.00492"
                           yFract="-0.00058294"
                           z3="4.26004"
                           zFract="0.19172097"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36621"
                           xFract="0.99125711"
                           y3="0.15461"
                           yFract="0.01831872"
                           z3="8.41331"
                           zFract="0.37863681"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11046"
                           xFract="0.2500545"
                           y3="2.11448"
                           yFract="0.25053081"
                           z3="4.28436"
                           zFract="0.19281548"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00309"
                           xFract="0.23733294"
                           y3="2.00438"
                           yFract="0.23748578"
                           z3="8.53308"
                           zFract="0.384027"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40157"
                           xFract="0.52151303"
                           y3="2.10867"
                           yFract="0.24984242"
                           z3="6.28756"
                           zFract="0.2829685"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33284"
                           xFract="0.75033649"
                           y3="8.35322"
                           yFract="0.98971801"
                           z3="6.32471"
                           zFract="0.28464041"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21171"
                           xFract="0.49901777"
                           y3="8.31145"
                           yFract="0.98476896"
                           z3="4.21177"
                           zFract="0.1895486"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34216"
                           xFract="0.51447393"
                           y3="-0.01905"
                           yFract="-0.00225711"
                           z3="8.4813"
                           zFract="0.38169667"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30494"
                           xFract="0.74703081"
                           y3="2.07216"
                           yFract="0.24551659"
                           z3="4.04506"
                           zFract="0.1820459"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72535"
                           xFract="0.79684242"
                           y3="2.23402"
                           yFract="0.26469431"
                           z3="9.06945"
                           zFract="0.40816607"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41461"
                           xFract="0.99699171"
                           y3="6.47683"
                           yFract="0.76739692"
                           z3="6.40267"
                           zFract="0.28814896"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94539"
                           xFract="0.23049645"
                           y3="4.23896"
                           yFract="0.50224645"
                           z3="6.45286"
                           zFract="0.29040774"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02212"
                           xFract="0.00262085"
                           y3="4.20241"
                           yFract="0.49791588"
                           z3="4.12218"
                           zFract="0.18551665"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38293"
                           xFract="0.04537085"
                           y3="3.9283"
                           yFract="0.46543839"
                           z3="9.43416"
                           zFract="0.42457966"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20531"
                           xFract="0.26129265"
                           y3="6.32387"
                           yFract="0.7492737"
                           z3="4.29561"
                           zFract="0.19332178"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01613"
                           xFract="0.23887796"
                           y3="6.38747"
                           yFract="0.75680924"
                           z3="8.49125"
                           zFract="0.38214446"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22652"
                           xFract="0.50077251"
                           y3="6.3398"
                           yFract="0.75116114"
                           z3="6.29608"
                           zFract="0.28335194"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43023"
                           xFract="0.76187559"
                           y3="4.2972"
                           yFract="0.50914692"
                           z3="6.32219"
                           zFract="0.284527"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1885"
                           xFract="0.49626777"
                           y3="4.3695"
                           yFract="0.51771327"
                           z3="4.29812"
                           zFract="0.19343474"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14288"
                           xFract="0.49086256"
                           y3="4.23864"
                           yFract="0.50220853"
                           z3="8.52065"
                           zFract="0.3834676"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18731"
                           xFract="0.7330936"
                           y3="6.36335"
                           yFract="0.75395142"
                           z3="4.23154"
                           zFract="0.19043834"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46376"
                           xFract="0.76584834"
                           y3="6.12724"
                           yFract="0.7259763"
                           z3="8.46323"
                           zFract="0.38088344"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.140">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16605"
                           xFract="0.01967417"
                           y3="4.03187"
                           yFract="0.47770972"
                           z3="10.37577"
                           zFract="0.46695635"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03629"
                           xFract="-0.00429976"
                           y3="6.43913"
                           yFract="0.76293009"
                           z3="8.48541"
                           zFract="0.38188164"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33637"
                           xFract="0.75075474"
                           y3="0.00968"
                           yFract="0.00114692"
                           z3="4.25023"
                           zFract="0.19127948"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.1260"
                           xFract="0.01492891"
                           y3="2.05151"
                           yFract="0.24306991"
                           z3="8.91735"
                           zFract="0.40132088"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35647"
                           xFract="0.75313626"
                           y3="6.32353"
                           yFract="0.74923341"
                           z3="6.38233"
                           zFract="0.28723357"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20655"
                           xFract="0.4984064"
                           y3="6.33528"
                           yFract="0.75062559"
                           z3="4.2367"
                           zFract="0.19067057"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42155"
                           xFract="0.99781398"
                           y3="0.06456"
                           yFract="0.00764929"
                           z3="6.36958"
                           zFract="0.28665977"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41745"
                           xFract="0.9973282"
                           y3="2.10584"
                           yFract="0.24950711"
                           z3="4.19848"
                           zFract="0.1889505"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14222"
                           xFract="0.25381754"
                           y3="4.21531"
                           yFract="0.49944431"
                           z3="8.5151"
                           zFract="0.38321782"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08986"
                           xFract="0.24761374"
                           y3="4.20839"
                           yFract="0.49862441"
                           z3="4.26724"
                           zFract="0.192045"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06959"
                           xFract="0.24521209"
                           y3="6.34355"
                           yFract="0.75160545"
                           z3="6.38959"
                           zFract="0.28756031"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0939"
                           xFract="0.24809242"
                           y3="0.00788"
                           yFract="0.00093365"
                           z3="4.22818"
                           zFract="0.19028713"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25398"
                           xFract="0.50402607"
                           y3="0.03403"
                           yFract="0.00403199"
                           z3="6.32784"
                           zFract="0.28478128"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35278"
                           xFract="0.75269905"
                           y3="2.12785"
                           yFract="0.25211493"
                           z3="6.37711"
                           zFract="0.28699865"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44838"
                           xFract="0.76402607"
                           y3="4.11289"
                           yFract="0.48730924"
                           z3="8.63957"
                           zFract="0.38881953"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2449"
                           xFract="0.50295024"
                           y3="2.16144"
                           yFract="0.25609479"
                           z3="8.57557"
                           zFract="0.38593924"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4243"
                           xFract="0.99813981"
                           y3="6.31377"
                           yFract="0.74807701"
                           z3="4.26612"
                           zFract="0.1919946"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39793"
                           xFract="0.9950154"
                           y3="4.18787"
                           yFract="0.49619313"
                           z3="6.41636"
                           zFract="0.28876508"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21415"
                           xFract="0.49930687"
                           y3="2.11523"
                           yFract="0.25061967"
                           z3="4.2182"
                           zFract="0.18983798"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03498"
                           xFract="0.24111137"
                           y3="2.0950"
                           yFract="0.24822275"
                           z3="6.41898"
                           zFract="0.28888299"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35803"
                           xFract="0.75332109"
                           y3="4.2117"
                           yFract="0.49901659"
                           z3="4.25278"
                           zFract="0.19139424"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37878"
                           xFract="0.5188128"
                           y3="6.31031"
                           yFract="0.74766706"
                           z3="8.49597"
                           zFract="0.38235689"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26812"
                           xFract="0.50570142"
                           y3="4.1773"
                           yFract="0.49494076"
                           z3="6.43386"
                           zFract="0.28955266"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17138"
                           xFract="0.25727251"
                           y3="-0.02256"
                           yFract="-0.00267299"
                           z3="8.45879"
                           zFract="0.38068362"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32615"
                           xFract="0.74954384"
                           y3="0.31119"
                           yFract="0.03687085"
                           z3="8.48559"
                           zFract="0.38188974"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27204"
                           xFract="0.98009953"
                           y3="2.04454"
                           yFract="0.24224408"
                           z3="6.22554"
                           zFract="0.28017732"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15387"
                           xFract="0.25519787"
                           y3="8.4357"
                           yFract="0.99949052"
                           z3="6.31693"
                           zFract="0.28429028"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00098"
                           xFract="-0.00011611"
                           y3="-0.00511"
                           yFract="-0.00060545"
                           z3="4.26016"
                           zFract="0.19172637"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36595"
                           xFract="0.9912263"
                           y3="0.15561"
                           yFract="0.0184372"
                           z3="8.41319"
                           zFract="0.37863141"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11049"
                           xFract="0.25005806"
                           y3="2.11439"
                           yFract="0.25052014"
                           z3="4.28408"
                           zFract="0.19280288"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00617"
                           xFract="0.23769787"
                           y3="2.00327"
                           yFract="0.23735427"
                           z3="8.53321"
                           zFract="0.38403285"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40207"
                           xFract="0.52157227"
                           y3="2.10797"
                           yFract="0.24975948"
                           z3="6.28835"
                           zFract="0.28300405"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33314"
                           xFract="0.75037204"
                           y3="8.35267"
                           yFract="0.98965284"
                           z3="6.32427"
                           zFract="0.28462061"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21091"
                           xFract="0.49892299"
                           y3="8.31178"
                           yFract="0.98480806"
                           z3="4.21084"
                           zFract="0.18950675"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34244"
                           xFract="0.51450711"
                           y3="-0.01952"
                           yFract="-0.0023128"
                           z3="8.48159"
                           zFract="0.38170972"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30471"
                           xFract="0.74700355"
                           y3="2.07187"
                           yFract="0.24548223"
                           z3="4.04504"
                           zFract="0.182045"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.73098"
                           xFract="0.79750948"
                           y3="2.23415"
                           yFract="0.26470972"
                           z3="9.07279"
                           zFract="0.40831638"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41424"
                           xFract="0.99694787"
                           y3="6.47714"
                           yFract="0.76743365"
                           z3="6.4032"
                           zFract="0.28817282"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94537"
                           xFract="0.23049408"
                           y3="4.23937"
                           yFract="0.50229502"
                           z3="6.45277"
                           zFract="0.29040369"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02256"
                           xFract="0.00267299"
                           y3="4.20243"
                           yFract="0.49791825"
                           z3="4.12259"
                           zFract="0.1855351"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38711"
                           xFract="0.04586611"
                           y3="3.9259"
                           yFract="0.46515403"
                           z3="9.43696"
                           zFract="0.42470567"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20444"
                           xFract="0.26118957"
                           y3="6.32401"
                           yFract="0.74929028"
                           z3="4.2949"
                           zFract="0.19328983"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01466"
                           xFract="0.23870379"
                           y3="6.38761"
                           yFract="0.75682583"
                           z3="8.49074"
                           zFract="0.38212151"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22704"
                           xFract="0.50083412"
                           y3="6.34034"
                           yFract="0.75122512"
                           z3="6.29498"
                           zFract="0.28330243"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43006"
                           xFract="0.76185545"
                           y3="4.29716"
                           yFract="0.50914218"
                           z3="6.32247"
                           zFract="0.2845396"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18834"
                           xFract="0.49624882"
                           y3="4.37022"
                           yFract="0.51779858"
                           z3="4.29812"
                           zFract="0.19343474"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14348"
                           xFract="0.49093365"
                           y3="4.23882"
                           yFract="0.50222986"
                           z3="8.52072"
                           zFract="0.38347075"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18671"
                           xFract="0.73302251"
                           y3="6.3640"
                           yFract="0.75402844"
                           z3="4.23048"
                           zFract="0.19039064"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46404"
                           xFract="0.76588152"
                           y3="6.12491"
                           yFract="0.72570024"
                           z3="8.46253"
                           zFract="0.38085194"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.141">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16533"
                           xFract="0.01958886"
                           y3="4.03268"
                           yFract="0.47780569"
                           z3="10.37455"
                           zFract="0.46690144"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03633"
                           xFract="-0.0043045"
                           y3="6.43887"
                           yFract="0.76289929"
                           z3="8.48575"
                           zFract="0.38189694"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33644"
                           xFract="0.75076303"
                           y3="0.00976"
                           yFract="0.0011564"
                           z3="4.25033"
                           zFract="0.19128398"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.1270"
                           xFract="0.01504739"
                           y3="2.05089"
                           yFract="0.24299645"
                           z3="8.91607"
                           zFract="0.40126328"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35669"
                           xFract="0.75316232"
                           y3="6.32378"
                           yFract="0.74926303"
                           z3="6.38286"
                           zFract="0.28725743"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20572"
                           xFract="0.49830806"
                           y3="6.33592"
                           yFract="0.75070142"
                           z3="4.23656"
                           zFract="0.19066427"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42152"
                           xFract="0.99781043"
                           y3="0.06425"
                           yFract="0.00761256"
                           z3="6.36972"
                           zFract="0.28666607"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41743"
                           xFract="0.99732583"
                           y3="2.10608"
                           yFract="0.24953555"
                           z3="4.19889"
                           zFract="0.18896895"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14228"
                           xFract="0.25382464"
                           y3="4.21453"
                           yFract="0.4993519"
                           z3="8.51477"
                           zFract="0.38320297"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08986"
                           xFract="0.24761374"
                           y3="4.20872"
                           yFract="0.49866351"
                           z3="4.26722"
                           zFract="0.1920441"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06955"
                           xFract="0.24520735"
                           y3="6.34377"
                           yFract="0.75163152"
                           z3="6.38943"
                           zFract="0.28755311"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09411"
                           xFract="0.2481173"
                           y3="0.00768"
                           yFract="0.00090995"
                           z3="4.22818"
                           zFract="0.19028713"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25387"
                           xFract="0.50401303"
                           y3="0.03421"
                           yFract="0.00405332"
                           z3="6.32789"
                           zFract="0.28478353"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35268"
                           xFract="0.7526872"
                           y3="2.12795"
                           yFract="0.25212678"
                           z3="6.37705"
                           zFract="0.28699595"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44679"
                           xFract="0.76383768"
                           y3="4.11309"
                           yFract="0.48733294"
                           z3="8.63961"
                           zFract="0.38882133"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24552"
                           xFract="0.5030237"
                           y3="2.16102"
                           yFract="0.25604502"
                           z3="8.57598"
                           zFract="0.3859577"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42425"
                           xFract="0.99813389"
                           y3="6.3136"
                           yFract="0.74805687"
                           z3="4.26612"
                           zFract="0.1919946"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39803"
                           xFract="0.99502725"
                           y3="4.1882"
                           yFract="0.49623223"
                           z3="6.41609"
                           zFract="0.28875293"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21434"
                           xFract="0.49932938"
                           y3="2.11517"
                           yFract="0.25061256"
                           z3="4.21819"
                           zFract="0.18983753"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03504"
                           xFract="0.24111848"
                           y3="2.09494"
                           yFract="0.24821564"
                           z3="6.41886"
                           zFract="0.28887759"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3580"
                           xFract="0.75331754"
                           y3="4.21172"
                           yFract="0.49901896"
                           z3="4.25259"
                           zFract="0.19138569"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37781"
                           xFract="0.51869787"
                           y3="6.31038"
                           yFract="0.74767536"
                           z3="8.49566"
                           zFract="0.38234293"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26805"
                           xFract="0.50569313"
                           y3="4.17723"
                           yFract="0.49493246"
                           z3="6.43387"
                           zFract="0.28955311"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17113"
                           xFract="0.25724289"
                           y3="-0.02194"
                           yFract="-0.00259953"
                           z3="8.45914"
                           zFract="0.38069937"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32628"
                           xFract="0.74955924"
                           y3="0.30981"
                           yFract="0.03670735"
                           z3="8.48589"
                           zFract="0.38190324"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27178"
                           xFract="0.98006872"
                           y3="2.04439"
                           yFract="0.2422263"
                           z3="6.22552"
                           zFract="0.28017642"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15399"
                           xFract="0.25521209"
                           y3="8.43591"
                           yFract="0.9995154"
                           z3="6.31692"
                           zFract="0.28428983"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00104"
                           xFract="-0.00012322"
                           y3="-0.00505"
                           yFract="-0.00059834"
                           z3="4.26012"
                           zFract="0.19172457"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36604"
                           xFract="0.99123697"
                           y3="0.15527"
                           yFract="0.01839692"
                           z3="8.41323"
                           zFract="0.37863321"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11048"
                           xFract="0.25005687"
                           y3="2.11442"
                           yFract="0.2505237"
                           z3="4.28417"
                           zFract="0.19280693"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00514"
                           xFract="0.23757583"
                           y3="2.00364"
                           yFract="0.2373981"
                           z3="8.53317"
                           zFract="0.38403105"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40191"
                           xFract="0.52155332"
                           y3="2.10821"
                           yFract="0.24978791"
                           z3="6.28808"
                           zFract="0.2829919"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33304"
                           xFract="0.75036019"
                           y3="8.35286"
                           yFract="0.98967536"
                           z3="6.32441"
                           zFract="0.28462691"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21117"
                           xFract="0.49895379"
                           y3="8.31167"
                           yFract="0.98479502"
                           z3="4.21115"
                           zFract="0.1895207"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34235"
                           xFract="0.51449645"
                           y3="-0.01937"
                           yFract="-0.00229502"
                           z3="8.48149"
                           zFract="0.38170522"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30479"
                           xFract="0.74701303"
                           y3="2.07197"
                           yFract="0.24549408"
                           z3="4.04504"
                           zFract="0.182045"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.7291"
                           xFract="0.79728673"
                           y3="2.23411"
                           yFract="0.26470498"
                           z3="9.07167"
                           zFract="0.40826598"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41437"
                           xFract="0.99696327"
                           y3="6.47704"
                           yFract="0.7674218"
                           z3="6.40303"
                           zFract="0.28816517"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94538"
                           xFract="0.23049526"
                           y3="4.23923"
                           yFract="0.50227844"
                           z3="6.4528"
                           zFract="0.29040504"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02241"
                           xFract="0.00265521"
                           y3="4.20242"
                           yFract="0.49791706"
                           z3="4.12245"
                           zFract="0.1855288"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38571"
                           xFract="0.04570024"
                           y3="3.9267"
                           yFract="0.46524882"
                           z3="9.43603"
                           zFract="0.42466382"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20473"
                           xFract="0.26122393"
                           y3="6.32396"
                           yFract="0.74928436"
                           z3="4.29513"
                           zFract="0.19330018"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01515"
                           xFract="0.23876185"
                           y3="6.38756"
                           yFract="0.75681991"
                           z3="8.49091"
                           zFract="0.38212916"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22687"
                           xFract="0.50081398"
                           y3="6.34016"
                           yFract="0.75120379"
                           z3="6.29535"
                           zFract="0.28331908"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43012"
                           xFract="0.76186256"
                           y3="4.29718"
                           yFract="0.50914455"
                           z3="6.32237"
                           zFract="0.2845351"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18839"
                           xFract="0.49625474"
                           y3="4.36998"
                           yFract="0.51777014"
                           z3="4.29812"
                           zFract="0.19343474"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14328"
                           xFract="0.49090995"
                           y3="4.23876"
                           yFract="0.50222275"
                           z3="8.5207"
                           zFract="0.38346985"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18691"
                           xFract="0.73304621"
                           y3="6.36378"
                           yFract="0.75400237"
                           z3="4.23084"
                           zFract="0.19040684"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46395"
                           xFract="0.76587085"
                           y3="6.12569"
                           yFract="0.72579265"
                           z3="8.46276"
                           zFract="0.38086229"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.142">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1654"
                           xFract="0.01959716"
                           y3="4.03245"
                           yFract="0.47777844"
                           z3="10.37647"
                           zFract="0.46698785"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03641"
                           xFract="-0.00431398"
                           y3="6.43906"
                           yFract="0.7629218"
                           z3="8.48565"
                           zFract="0.38189244"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33635"
                           xFract="0.75075237"
                           y3="0.00976"
                           yFract="0.0011564"
                           z3="4.25029"
                           zFract="0.19128218"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.12825"
                           xFract="0.0151955"
                           y3="2.05078"
                           yFract="0.24298341"
                           z3="8.91633"
                           zFract="0.40127498"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35659"
                           xFract="0.75315047"
                           y3="6.32369"
                           yFract="0.74925237"
                           z3="6.38264"
                           zFract="0.28724752"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2055"
                           xFract="0.49828199"
                           y3="6.33611"
                           yFract="0.75072393"
                           z3="4.23655"
                           zFract="0.19066382"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42149"
                           xFract="0.99780687"
                           y3="0.0645"
                           yFract="0.00764218"
                           z3="6.36983"
                           zFract="0.28667102"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4174"
                           xFract="0.99732227"
                           y3="2.10604"
                           yFract="0.24953081"
                           z3="4.19889"
                           zFract="0.18896895"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14222"
                           xFract="0.25381754"
                           y3="4.21488"
                           yFract="0.49939336"
                           z3="8.51498"
                           zFract="0.38321242"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08983"
                           xFract="0.24761019"
                           y3="4.20871"
                           yFract="0.49866232"
                           z3="4.26724"
                           zFract="0.192045"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06959"
                           xFract="0.24521209"
                           y3="6.34372"
                           yFract="0.75162559"
                           z3="6.38947"
                           zFract="0.28755491"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09414"
                           xFract="0.24812085"
                           y3="0.00764"
                           yFract="0.00090521"
                           z3="4.22815"
                           zFract="0.19028578"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25387"
                           xFract="0.50401303"
                           y3="0.03408"
                           yFract="0.00403791"
                           z3="6.32786"
                           zFract="0.28478218"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3528"
                           xFract="0.75270142"
                           y3="2.12787"
                           yFract="0.2521173"
                           z3="6.37709"
                           zFract="0.28699775"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44759"
                           xFract="0.76393246"
                           y3="4.11289"
                           yFract="0.48730924"
                           z3="8.63953"
                           zFract="0.38881773"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24509"
                           xFract="0.50297275"
                           y3="2.16116"
                           yFract="0.25606161"
                           z3="8.57574"
                           zFract="0.38594689"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42431"
                           xFract="0.998141"
                           y3="6.31357"
                           yFract="0.74805332"
                           z3="4.2661"
                           zFract="0.1919937"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39804"
                           xFract="0.99502844"
                           y3="4.18802"
                           yFract="0.4962109"
                           z3="6.41621"
                           zFract="0.28875833"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21433"
                           xFract="0.4993282"
                           y3="2.11518"
                           yFract="0.25061374"
                           z3="4.21825"
                           zFract="0.18984023"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03498"
                           xFract="0.24111137"
                           y3="2.09499"
                           yFract="0.24822156"
                           z3="6.41901"
                           zFract="0.28888434"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35811"
                           xFract="0.75333057"
                           y3="4.21167"
                           yFract="0.49901303"
                           z3="4.25264"
                           zFract="0.19138794"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37831"
                           xFract="0.51875711"
                           y3="6.31035"
                           yFract="0.7476718"
                           z3="8.49583"
                           zFract="0.38235059"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26807"
                           xFract="0.5056955"
                           y3="4.17728"
                           yFract="0.49493839"
                           z3="6.43392"
                           zFract="0.28955536"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1712"
                           xFract="0.25725118"
                           y3="-0.02204"
                           yFract="-0.00261137"
                           z3="8.45899"
                           zFract="0.38069262"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32623"
                           xFract="0.74955332"
                           y3="0.31036"
                           yFract="0.03677251"
                           z3="8.48573"
                           zFract="0.38189604"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27187"
                           xFract="0.98007938"
                           y3="2.04437"
                           yFract="0.24222393"
                           z3="6.22533"
                           zFract="0.28016787"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15397"
                           xFract="0.25520972"
                           y3="8.43582"
                           yFract="0.99950474"
                           z3="6.3168"
                           zFract="0.28428443"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00107"
                           xFract="-0.00012678"
                           y3="-0.00496"
                           yFract="-0.00058768"
                           z3="4.2601"
                           zFract="0.19172367"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36581"
                           xFract="0.99120972"
                           y3="0.1555"
                           yFract="0.01842417"
                           z3="8.41321"
                           zFract="0.37863231"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11051"
                           xFract="0.25006043"
                           y3="2.11439"
                           yFract="0.25052014"
                           z3="4.28424"
                           zFract="0.19281008"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00504"
                           xFract="0.23756398"
                           y3="2.00352"
                           yFract="0.23738389"
                           z3="8.53326"
                           zFract="0.3840351"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40196"
                           xFract="0.52155924"
                           y3="2.10812"
                           yFract="0.24977725"
                           z3="6.28813"
                           zFract="0.28299415"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33306"
                           xFract="0.75036256"
                           y3="8.35276"
                           yFract="0.98966351"
                           z3="6.32427"
                           zFract="0.28462061"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21116"
                           xFract="0.49895261"
                           y3="8.31162"
                           yFract="0.9847891"
                           z3="4.21112"
                           zFract="0.18951935"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34249"
                           xFract="0.51451303"
                           y3="-0.01945"
                           yFract="-0.0023045"
                           z3="8.48149"
                           zFract="0.38170522"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30466"
                           xFract="0.74699763"
                           y3="2.07197"
                           yFract="0.24549408"
                           z3="4.04508"
                           zFract="0.1820468"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72921"
                           xFract="0.79729976"
                           y3="2.23433"
                           yFract="0.26473104"
                           z3="9.07235"
                           zFract="0.40829658"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41431"
                           xFract="0.99695616"
                           y3="6.47706"
                           yFract="0.76742417"
                           z3="6.40306"
                           zFract="0.28816652"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9454"
                           xFract="0.23049763"
                           y3="4.23926"
                           yFract="0.50228199"
                           z3="6.4528"
                           zFract="0.29040504"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0224"
                           xFract="0.00265403"
                           y3="4.20241"
                           yFract="0.49791588"
                           z3="4.1225"
                           zFract="0.18553105"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38665"
                           xFract="0.04581161"
                           y3="3.92621"
                           yFract="0.46519076"
                           z3="9.43526"
                           zFract="0.42462916"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20471"
                           xFract="0.26122156"
                           y3="6.32393"
                           yFract="0.74928081"
                           z3="4.29506"
                           zFract="0.19329703"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01499"
                           xFract="0.23874289"
                           y3="6.38754"
                           yFract="0.75681754"
                           z3="8.49082"
                           zFract="0.38212511"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2270"
                           xFract="0.50082938"
                           y3="6.34017"
                           yFract="0.75120498"
                           z3="6.29518"
                           zFract="0.28331143"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43005"
                           xFract="0.76185427"
                           y3="4.29716"
                           yFract="0.50914218"
                           z3="6.32234"
                           zFract="0.28453375"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18848"
                           xFract="0.4962654"
                           y3="4.36989"
                           yFract="0.51775948"
                           z3="4.29816"
                           zFract="0.19343654"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14333"
                           xFract="0.49091588"
                           y3="4.2389"
                           yFract="0.50223934"
                           z3="8.52069"
                           zFract="0.3834694"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18705"
                           xFract="0.7330628"
                           y3="6.36381"
                           yFract="0.75400592"
                           z3="4.23073"
                           zFract="0.19040189"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46409"
                           xFract="0.76588744"
                           y3="6.12535"
                           yFract="0.72575237"
                           z3="8.46265"
                           zFract="0.38085734"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.143">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16548"
                           xFract="0.01960664"
                           y3="4.0322"
                           yFract="0.47774882"
                           z3="10.37861"
                           zFract="0.46708416"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03649"
                           xFract="-0.00432346"
                           y3="6.43928"
                           yFract="0.76294787"
                           z3="8.48553"
                           zFract="0.38188704"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33624"
                           xFract="0.75073934"
                           y3="0.00976"
                           yFract="0.0011564"
                           z3="4.25025"
                           zFract="0.19128038"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.12965"
                           xFract="0.01536137"
                           y3="2.05066"
                           yFract="0.24296919"
                           z3="8.91664"
                           zFract="0.40128893"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35648"
                           xFract="0.75313744"
                           y3="6.3236"
                           yFract="0.74924171"
                           z3="6.3824"
                           zFract="0.28723672"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20524"
                           xFract="0.49825118"
                           y3="6.33634"
                           yFract="0.75075118"
                           z3="4.23655"
                           zFract="0.19066382"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42146"
                           xFract="0.99780332"
                           y3="0.06477"
                           yFract="0.00767417"
                           z3="6.36996"
                           zFract="0.28667687"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41737"
                           xFract="0.99731872"
                           y3="2.10599"
                           yFract="0.24952488"
                           z3="4.19889"
                           zFract="0.18896895"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14216"
                           xFract="0.25381043"
                           y3="4.21527"
                           yFract="0.49943957"
                           z3="8.51521"
                           zFract="0.38322277"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08979"
                           xFract="0.24760545"
                           y3="4.2087"
                           yFract="0.49866114"
                           z3="4.26725"
                           zFract="0.19204545"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06964"
                           xFract="0.24521801"
                           y3="6.34367"
                           yFract="0.75161967"
                           z3="6.38951"
                           zFract="0.28755671"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09417"
                           xFract="0.24812441"
                           y3="0.0076"
                           yFract="0.00090047"
                           z3="4.22813"
                           zFract="0.19028488"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25387"
                           xFract="0.50401303"
                           y3="0.03392"
                           yFract="0.00401896"
                           z3="6.32783"
                           zFract="0.28478083"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35293"
                           xFract="0.75271682"
                           y3="2.12779"
                           yFract="0.25210782"
                           z3="6.37714"
                           zFract="0.2870"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44848"
                           xFract="0.76403791"
                           y3="4.11267"
                           yFract="0.48728318"
                           z3="8.63945"
                           zFract="0.38881413"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24462"
                           xFract="0.50291706"
                           y3="2.16132"
                           yFract="0.25608057"
                           z3="8.57547"
                           zFract="0.38593474"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42438"
                           xFract="0.99814929"
                           y3="6.31354"
                           yFract="0.74804976"
                           z3="4.26607"
                           zFract="0.19199235"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39806"
                           xFract="0.99503081"
                           y3="4.18783"
                           yFract="0.49618839"
                           z3="6.41634"
                           zFract="0.28876418"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21432"
                           xFract="0.49932701"
                           y3="2.11519"
                           yFract="0.25061493"
                           z3="4.21832"
                           zFract="0.18984338"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03491"
                           xFract="0.24110308"
                           y3="2.09504"
                           yFract="0.24822749"
                           z3="6.41918"
                           zFract="0.28889199"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35823"
                           xFract="0.75334479"
                           y3="4.21161"
                           yFract="0.49900592"
                           z3="4.25269"
                           zFract="0.19139019"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37886"
                           xFract="0.51882227"
                           y3="6.31033"
                           yFract="0.74766943"
                           z3="8.49602"
                           zFract="0.38235914"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26809"
                           xFract="0.50569787"
                           y3="4.17733"
                           yFract="0.49494431"
                           z3="6.43397"
                           zFract="0.28955761"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17128"
                           xFract="0.25726066"
                           y3="-0.02216"
                           yFract="-0.00262559"
                           z3="8.45883"
                           zFract="0.38068542"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32616"
                           xFract="0.74954502"
                           y3="0.31097"
                           yFract="0.03684479"
                           z3="8.48556"
                           zFract="0.38188839"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27198"
                           xFract="0.98009242"
                           y3="2.04434"
                           yFract="0.24222038"
                           z3="6.22513"
                           zFract="0.28015887"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15394"
                           xFract="0.25520616"
                           y3="8.43572"
                           yFract="0.99949289"
                           z3="6.31667"
                           zFract="0.28427858"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0011"
                           xFract="-0.00013033"
                           y3="-0.00487"
                           yFract="-0.00057701"
                           z3="4.26008"
                           zFract="0.19172277"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36556"
                           xFract="0.99118009"
                           y3="0.15575"
                           yFract="0.01845379"
                           z3="8.4132"
                           zFract="0.37863186"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11054"
                           xFract="0.25006398"
                           y3="2.11436"
                           yFract="0.25051659"
                           z3="4.2843"
                           zFract="0.19281278"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00494"
                           xFract="0.23755213"
                           y3="2.00339"
                           yFract="0.23736848"
                           z3="8.53336"
                           zFract="0.3840396"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40202"
                           xFract="0.52156635"
                           y3="2.10803"
                           yFract="0.24976659"
                           z3="6.28818"
                           zFract="0.2829964"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33309"
                           xFract="0.75036611"
                           y3="8.35265"
                           yFract="0.98965047"
                           z3="6.3241"
                           zFract="0.28461296"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21113"
                           xFract="0.49894905"
                           y3="8.31157"
                           yFract="0.98478318"
                           z3="4.21108"
                           zFract="0.18951755"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34266"
                           xFract="0.51453318"
                           y3="-0.01954"
                           yFract="-0.00231517"
                           z3="8.48149"
                           zFract="0.38170522"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30451"
                           xFract="0.74697986"
                           y3="2.07197"
                           yFract="0.24549408"
                           z3="4.04511"
                           zFract="0.18204815"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72934"
                           xFract="0.79731517"
                           y3="2.23458"
                           yFract="0.26476066"
                           z3="9.0731"
                           zFract="0.40833033"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41424"
                           xFract="0.99694787"
                           y3="6.47708"
                           yFract="0.76742654"
                           z3="6.4031"
                           zFract="0.28816832"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94542"
                           xFract="0.2305"
                           y3="4.23929"
                           yFract="0.50228555"
                           z3="6.4528"
                           zFract="0.29040504"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02239"
                           xFract="0.00265284"
                           y3="4.2024"
                           yFract="0.49791469"
                           z3="4.12256"
                           zFract="0.18553375"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38771"
                           xFract="0.0459372"
                           y3="3.92567"
                           yFract="0.46512678"
                           z3="9.43439"
                           zFract="0.42459001"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20467"
                           xFract="0.26121682"
                           y3="6.32388"
                           yFract="0.74927488"
                           z3="4.29497"
                           zFract="0.19329298"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01482"
                           xFract="0.23872275"
                           y3="6.38751"
                           yFract="0.75681398"
                           z3="8.49072"
                           zFract="0.38212061"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22714"
                           xFract="0.50084597"
                           y3="6.34017"
                           yFract="0.75120498"
                           z3="6.29499"
                           zFract="0.28330288"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42998"
                           xFract="0.76184597"
                           y3="4.29713"
                           yFract="0.50913863"
                           z3="6.32231"
                           zFract="0.2845324"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18858"
                           xFract="0.49627725"
                           y3="4.36979"
                           yFract="0.51774763"
                           z3="4.2982"
                           zFract="0.19343834"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14338"
                           xFract="0.4909218"
                           y3="4.23905"
                           yFract="0.50225711"
                           z3="8.52067"
                           zFract="0.3834685"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1872"
                           xFract="0.73308057"
                           y3="6.36383"
                           yFract="0.75400829"
                           z3="4.2306"
                           zFract="0.19039604"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46424"
                           xFract="0.76590521"
                           y3="6.12497"
                           yFract="0.72570735"
                           z3="8.46252"
                           zFract="0.38085149"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.144">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16601"
                           xFract="0.01966943"
                           y3="4.03176"
                           yFract="0.47769668"
                           z3="10.37899"
                           zFract="0.46710126"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03666"
                           xFract="-0.0043436"
                           y3="6.43955"
                           yFract="0.76297986"
                           z3="8.48545"
                           zFract="0.38188344"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33612"
                           xFract="0.75072512"
                           y3="0.00979"
                           yFract="0.00115995"
                           z3="4.25023"
                           zFract="0.19127948"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13188"
                           xFract="0.01562559"
                           y3="2.05011"
                           yFract="0.24290403"
                           z3="8.91673"
                           zFract="0.40129298"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35642"
                           xFract="0.75313033"
                           y3="6.32355"
                           yFract="0.74923578"
                           z3="6.38223"
                           zFract="0.28722907"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20462"
                           xFract="0.49817773"
                           y3="6.33685"
                           yFract="0.75081161"
                           z3="4.23646"
                           zFract="0.19065977"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42139"
                           xFract="0.99779502"
                           y3="0.06505"
                           yFract="0.00770735"
                           z3="6.37019"
                           zFract="0.28668722"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41731"
                           xFract="0.99731161"
                           y3="2.1060"
                           yFract="0.24952607"
                           z3="4.19903"
                           zFract="0.18897525"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14226"
                           xFract="0.25382227"
                           y3="4.21569"
                           yFract="0.49948934"
                           z3="8.51538"
                           zFract="0.38323042"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08974"
                           xFract="0.24759953"
                           y3="4.20879"
                           yFract="0.4986718"
                           z3="4.26727"
                           zFract="0.19204635"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06969"
                           xFract="0.24522393"
                           y3="6.34367"
                           yFract="0.75161967"
                           z3="6.3895"
                           zFract="0.28755626"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09429"
                           xFract="0.24813863"
                           y3="0.00747"
                           yFract="0.00088507"
                           z3="4.22807"
                           zFract="0.19028218"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25384"
                           xFract="0.50400948"
                           y3="0.03376"
                           yFract="0.0040"
                           z3="6.32779"
                           zFract="0.28477903"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35309"
                           xFract="0.75273578"
                           y3="2.1277"
                           yFract="0.25209716"
                           z3="6.37718"
                           zFract="0.2870018"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.44943"
                           xFract="0.76415047"
                           y3="4.11237"
                           yFract="0.48724763"
                           z3="8.63931"
                           zFract="0.38880783"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24407"
                           xFract="0.5028519"
                           y3="2.16145"
                           yFract="0.25609597"
                           z3="8.57517"
                           zFract="0.38592124"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42446"
                           xFract="0.99815877"
                           y3="6.31344"
                           yFract="0.74803791"
                           z3="4.26603"
                           zFract="0.19199055"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3981"
                           xFract="0.99503555"
                           y3="4.18764"
                           yFract="0.49616588"
                           z3="6.41647"
                           zFract="0.28877003"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21436"
                           xFract="0.49933175"
                           y3="2.11519"
                           yFract="0.25061493"
                           z3="4.21844"
                           zFract="0.18984878"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03483"
                           xFract="0.2410936"
                           y3="2.0951"
                           yFract="0.2482346"
                           z3="6.41938"
                           zFract="0.28890099"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3584"
                           xFract="0.75336493"
                           y3="4.21153"
                           yFract="0.49899645"
                           z3="4.25269"
                           zFract="0.19139019"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.37943"
                           xFract="0.51888981"
                           y3="6.3103"
                           yFract="0.74766588"
                           z3="8.49621"
                           zFract="0.38236769"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2681"
                           xFract="0.50569905"
                           y3="4.17739"
                           yFract="0.49495142"
                           z3="6.43406"
                           zFract="0.28956166"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17132"
                           xFract="0.2572654"
                           y3="-0.02216"
                           yFract="-0.00262559"
                           z3="8.45868"
                           zFract="0.38067867"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3261"
                           xFract="0.74953791"
                           y3="0.31156"
                           yFract="0.03691469"
                           z3="8.4854"
                           zFract="0.38188119"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27206"
                           xFract="0.9801019"
                           y3="2.04427"
                           yFract="0.24221209"
                           z3="6.2248"
                           zFract="0.28014401"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15395"
                           xFract="0.25520735"
                           y3="8.43564"
                           yFract="0.99948341"
                           z3="6.31647"
                           zFract="0.28426958"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00117"
                           xFract="-0.00013863"
                           y3="-0.0047"
                           yFract="-0.00055687"
                           z3="4.26005"
                           zFract="0.19172142"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3652"
                           xFract="0.99113744"
                           y3="0.15605"
                           yFract="0.01848934"
                           z3="8.41319"
                           zFract="0.37863141"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11054"
                           xFract="0.25006398"
                           y3="2.11432"
                           yFract="0.25051185"
                           z3="4.28448"
                           zFract="0.19282088"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00461"
                           xFract="0.23751303"
                           y3="2.00324"
                           yFract="0.23735071"
                           z3="8.53347"
                           zFract="0.38404455"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40208"
                           xFract="0.52157346"
                           y3="2.10795"
                           yFract="0.24975711"
                           z3="6.28822"
                           zFract="0.2829982"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3331"
                           xFract="0.7503673"
                           y3="8.3525"
                           yFract="0.9896327"
                           z3="6.32389"
                           zFract="0.28460351"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21117"
                           xFract="0.49895379"
                           y3="8.31144"
                           yFract="0.98476777"
                           z3="4.21114"
                           zFract="0.18952025"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34289"
                           xFract="0.51456043"
                           y3="-0.01965"
                           yFract="-0.0023282"
                           z3="8.48146"
                           zFract="0.38170387"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30436"
                           xFract="0.74696209"
                           y3="2.07201"
                           yFract="0.24549882"
                           z3="4.04517"
                           zFract="0.18205086"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72916"
                           xFract="0.79729384"
                           y3="2.23505"
                           yFract="0.26481635"
                           z3="9.07402"
                           zFract="0.40837174"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41417"
                           xFract="0.99693957"
                           y3="6.47709"
                           yFract="0.76742773"
                           z3="6.4031"
                           zFract="0.28816832"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94547"
                           xFract="0.23050592"
                           y3="4.23929"
                           yFract="0.50228555"
                           z3="6.45283"
                           zFract="0.29040639"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02233"
                           xFract="0.00264573"
                           y3="4.20238"
                           yFract="0.49791232"
                           z3="4.12262"
                           zFract="0.18553645"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38826"
                           xFract="0.04600237"
                           y3="3.92535"
                           yFract="0.46508886"
                           z3="9.43546"
                           zFract="0.42463816"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20469"
                           xFract="0.26121919"
                           y3="6.32381"
                           yFract="0.74926659"
                           z3="4.29493"
                           zFract="0.19329118"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01467"
                           xFract="0.23870498"
                           y3="6.38746"
                           yFract="0.75680806"
                           z3="8.49061"
                           zFract="0.38211566"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22729"
                           xFract="0.50086374"
                           y3="6.34013"
                           yFract="0.75120024"
                           z3="6.2948"
                           zFract="0.28329433"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42989"
                           xFract="0.76183531"
                           y3="4.2971"
                           yFract="0.50913507"
                           z3="6.32226"
                           zFract="0.28453015"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18874"
                           xFract="0.49629621"
                           y3="4.36959"
                           yFract="0.51772393"
                           z3="4.29827"
                           zFract="0.19344149"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14343"
                           xFract="0.49092773"
                           y3="4.23932"
                           yFract="0.5022891"
                           z3="8.52066"
                           zFract="0.38346805"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18749"
                           xFract="0.73311493"
                           y3="6.36381"
                           yFract="0.75400592"
                           z3="4.23053"
                           zFract="0.19039289"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4645"
                           xFract="0.76593602"
                           y3="6.12453"
                           yFract="0.72565521"
                           z3="8.46237"
                           zFract="0.38084473"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.145">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16762"
                           xFract="0.01986019"
                           y3="4.03043"
                           yFract="0.4775391"
                           z3="10.38012"
                           zFract="0.46715212"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03715"
                           xFract="-0.00440166"
                           y3="6.44034"
                           yFract="0.76307346"
                           z3="8.4852"
                           zFract="0.38187219"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33575"
                           xFract="0.75068128"
                           y3="0.00988"
                           yFract="0.00117062"
                           z3="4.25014"
                           zFract="0.19127543"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13857"
                           xFract="0.01641825"
                           y3="2.04844"
                           yFract="0.24270616"
                           z3="8.91701"
                           zFract="0.40130558"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35624"
                           xFract="0.753109"
                           y3="6.3234"
                           yFract="0.74921801"
                           z3="6.38174"
                           zFract="0.28720702"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20274"
                           xFract="0.49795498"
                           y3="6.33841"
                           yFract="0.75099645"
                           z3="4.23619"
                           zFract="0.19064761"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42119"
                           xFract="0.99777133"
                           y3="0.06588"
                           yFract="0.00780569"
                           z3="6.37087"
                           zFract="0.28671782"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41712"
                           xFract="0.9972891"
                           y3="2.10603"
                           yFract="0.24952962"
                           z3="4.19942"
                           zFract="0.1889928"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14254"
                           xFract="0.25385545"
                           y3="4.21697"
                           yFract="0.499641"
                           z3="8.51589"
                           zFract="0.38325338"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08959"
                           xFract="0.24758175"
                           y3="4.20906"
                           yFract="0.49870379"
                           z3="4.26732"
                           zFract="0.1920486"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06984"
                           xFract="0.24524171"
                           y3="6.34365"
                           yFract="0.7516173"
                           z3="6.38949"
                           zFract="0.28755581"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09463"
                           xFract="0.24817891"
                           y3="0.0071"
                           yFract="0.00084123"
                           z3="4.2279"
                           zFract="0.19027453"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25374"
                           xFract="0.50399763"
                           y3="0.03328"
                           yFract="0.00394313"
                           z3="6.32767"
                           zFract="0.28477363"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35357"
                           xFract="0.75279265"
                           y3="2.12743"
                           yFract="0.25206517"
                           z3="6.37733"
                           zFract="0.28700855"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.45229"
                           xFract="0.76448934"
                           y3="4.11146"
                           yFract="0.48713981"
                           z3="8.63888"
                           zFract="0.38878848"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24241"
                           xFract="0.50265521"
                           y3="2.16183"
                           yFract="0.256141"
                           z3="8.57424"
                           zFract="0.38587939"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42471"
                           xFract="0.99818839"
                           y3="6.31314"
                           yFract="0.74800237"
                           z3="4.26591"
                           zFract="0.19198515"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39825"
                           xFract="0.99505332"
                           y3="4.18706"
                           yFract="0.49609716"
                           z3="6.41685"
                           zFract="0.28878713"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21445"
                           xFract="0.49934242"
                           y3="2.11521"
                           yFract="0.2506173"
                           z3="4.21878"
                           zFract="0.18986409"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03457"
                           xFract="0.2410628"
                           y3="2.09528"
                           yFract="0.24825592"
                           z3="6.41999"
                           zFract="0.28892844"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35889"
                           xFract="0.75342299"
                           y3="4.21129"
                           yFract="0.49896801"
                           z3="4.2527"
                           zFract="0.19139064"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38116"
                           xFract="0.51909479"
                           y3="6.31021"
                           yFract="0.74765521"
                           z3="8.49678"
                           zFract="0.38239334"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26814"
                           xFract="0.50570379"
                           y3="4.17755"
                           yFract="0.49497038"
                           z3="6.43433"
                           zFract="0.28957381"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17145"
                           xFract="0.25728081"
                           y3="-0.02217"
                           yFract="-0.00262678"
                           z3="8.45824"
                           zFract="0.38065887"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32592"
                           xFract="0.74951659"
                           y3="0.31332"
                           yFract="0.03712322"
                           z3="8.48491"
                           zFract="0.38185914"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27229"
                           xFract="0.98012915"
                           y3="2.04405"
                           yFract="0.24218602"
                           z3="6.22382"
                           zFract="0.28009991"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15397"
                           xFract="0.25520972"
                           y3="8.43538"
                           yFract="0.99945261"
                           z3="6.31586"
                           zFract="0.28424212"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00139"
                           xFract="-0.00016469"
                           y3="-0.00418"
                           yFract="-0.00049526"
                           z3="4.25995"
                           zFract="0.19171692"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36413"
                           xFract="0.99101066"
                           y3="0.15693"
                           yFract="0.0185936"
                           z3="8.41316"
                           zFract="0.37863006"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11055"
                           xFract="0.25006517"
                           y3="2.1142"
                           yFract="0.25049763"
                           z3="4.28501"
                           zFract="0.19284473"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00363"
                           xFract="0.23739692"
                           y3="2.00279"
                           yFract="0.23729739"
                           z3="8.53382"
                           zFract="0.38406031"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40225"
                           xFract="0.5215936"
                           y3="2.10771"
                           yFract="0.24972867"
                           z3="6.28835"
                           zFract="0.28300405"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33313"
                           xFract="0.75037085"
                           y3="8.35205"
                           yFract="0.98957938"
                           z3="6.32324"
                           zFract="0.28457426"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21128"
                           xFract="0.49896682"
                           y3="8.31107"
                           yFract="0.98472393"
                           z3="4.2113"
                           zFract="0.18952745"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34359"
                           xFract="0.51464336"
                           y3="-0.0200"
                           yFract="-0.00236967"
                           z3="8.48137"
                           zFract="0.38169982"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3039"
                           xFract="0.74690758"
                           y3="2.07213"
                           yFract="0.24551303"
                           z3="4.04536"
                           zFract="0.18205941"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72863"
                           xFract="0.79723104"
                           y3="2.23647"
                           yFract="0.2649846"
                           z3="9.07679"
                           zFract="0.4084964"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41396"
                           xFract="0.99691469"
                           y3="6.47714"
                           yFract="0.76743365"
                           z3="6.40311"
                           zFract="0.28816877"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94559"
                           xFract="0.23052014"
                           y3="4.2393"
                           yFract="0.50228673"
                           z3="6.45293"
                           zFract="0.29041089"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02215"
                           xFract="0.00262441"
                           y3="4.20233"
                           yFract="0.4979064"
                           z3="4.12279"
                           zFract="0.1855441"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.38992"
                           xFract="0.04619905"
                           y3="3.92441"
                           yFract="0.46497749"
                           z3="9.43867"
                           zFract="0.42478263"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20476"
                           xFract="0.26122749"
                           y3="6.3236"
                           yFract="0.74924171"
                           z3="4.2948"
                           zFract="0.19328533"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01423"
                           xFract="0.23865284"
                           y3="6.38731"
                           yFract="0.75679028"
                           z3="8.4903"
                           zFract="0.38210171"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22774"
                           xFract="0.50091706"
                           y3="6.34002"
                           yFract="0.7511872"
                           z3="6.29422"
                           zFract="0.28326823"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42962"
                           xFract="0.76180332"
                           y3="4.29701"
                           yFract="0.50912441"
                           z3="6.32209"
                           zFract="0.2845225"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18923"
                           xFract="0.49635427"
                           y3="4.36898"
                           yFract="0.51765166"
                           z3="4.29849"
                           zFract="0.1934514"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14357"
                           xFract="0.49094431"
                           y3="4.24014"
                           yFract="0.50238626"
                           z3="8.52062"
                           zFract="0.38346625"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18837"
                           xFract="0.73321919"
                           y3="6.36373"
                           yFract="0.75399645"
                           z3="4.2303"
                           zFract="0.19038254"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46528"
                           xFract="0.76602844"
                           y3="6.1232"
                           yFract="0.72549763"
                           z3="8.46191"
                           zFract="0.38082403"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.146">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.16838"
                           xFract="0.01995024"
                           y3="4.02974"
                           yFract="0.47745735"
                           z3="10.38075"
                           zFract="0.46718047"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0373"
                           xFract="-0.00441943"
                           y3="6.44076"
                           yFract="0.76312322"
                           z3="8.48508"
                           zFract="0.38186679"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33569"
                           xFract="0.75067417"
                           y3="0.00989"
                           yFract="0.0011718"
                           z3="4.25009"
                           zFract="0.19127318"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13884"
                           xFract="0.01645024"
                           y3="2.04811"
                           yFract="0.24266706"
                           z3="8.91766"
                           zFract="0.40133483"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35625"
                           xFract="0.75311019"
                           y3="6.32333"
                           yFract="0.74920972"
                           z3="6.38153"
                           zFract="0.28719757"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20258"
                           xFract="0.49793602"
                           y3="6.33845"
                           yFract="0.75100118"
                           z3="4.23602"
                           zFract="0.19063996"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42105"
                           xFract="0.99775474"
                           y3="0.06599"
                           yFract="0.00781872"
                           z3="6.37097"
                           zFract="0.28672232"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41708"
                           xFract="0.99728436"
                           y3="2.10607"
                           yFract="0.24953436"
                           z3="4.19951"
                           zFract="0.18899685"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14272"
                           xFract="0.25387678"
                           y3="4.21776"
                           yFract="0.4997346"
                           z3="8.51611"
                           zFract="0.38326328"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0896"
                           xFract="0.24758294"
                           y3="4.20913"
                           yFract="0.49871209"
                           z3="4.26735"
                           zFract="0.19204995"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06983"
                           xFract="0.24524052"
                           y3="6.34366"
                           yFract="0.75161848"
                           z3="6.3895"
                           zFract="0.28755626"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09466"
                           xFract="0.24818246"
                           y3="0.00702"
                           yFract="0.00083175"
                           z3="4.22781"
                           zFract="0.19027048"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25371"
                           xFract="0.50399408"
                           y3="0.0331"
                           yFract="0.0039218"
                           z3="6.32767"
                           zFract="0.28477363"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35368"
                           xFract="0.75280569"
                           y3="2.12735"
                           yFract="0.25205569"
                           z3="6.37743"
                           zFract="0.28701305"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.45364"
                           xFract="0.76464929"
                           y3="4.11105"
                           yFract="0.48709123"
                           z3="8.63869"
                           zFract="0.38877993"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24183"
                           xFract="0.50258649"
                           y3="2.16201"
                           yFract="0.25616232"
                           z3="8.57381"
                           zFract="0.38586004"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42473"
                           xFract="0.99819076"
                           y3="6.31304"
                           yFract="0.74799052"
                           z3="4.26589"
                           zFract="0.19198425"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39827"
                           xFract="0.99505569"
                           y3="4.18687"
                           yFract="0.49607464"
                           z3="6.41704"
                           zFract="0.28879568"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2145"
                           xFract="0.49934834"
                           y3="2.11528"
                           yFract="0.25062559"
                           z3="4.21894"
                           zFract="0.18987129"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03447"
                           xFract="0.24105095"
                           y3="2.09538"
                           yFract="0.24826777"
                           z3="6.42009"
                           zFract="0.28893294"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35901"
                           xFract="0.7534372"
                           y3="4.21128"
                           yFract="0.49896682"
                           z3="4.25265"
                           zFract="0.19138839"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38199"
                           xFract="0.51919313"
                           y3="6.31017"
                           yFract="0.74765047"
                           z3="8.49703"
                           zFract="0.38240459"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26818"
                           xFract="0.50570853"
                           y3="4.17763"
                           yFract="0.49497986"
                           z3="6.43443"
                           zFract="0.28957831"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17161"
                           xFract="0.25729976"
                           y3="-0.02241"
                           yFract="-0.00265521"
                           z3="8.45802"
                           zFract="0.38064896"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32588"
                           xFract="0.74951185"
                           y3="0.31455"
                           yFract="0.03726896"
                           z3="8.48485"
                           zFract="0.38185644"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27237"
                           xFract="0.98013863"
                           y3="2.04392"
                           yFract="0.24217062"
                           z3="6.22344"
                           zFract="0.28008281"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15409"
                           xFract="0.25522393"
                           y3="8.43527"
                           yFract="0.99943957"
                           z3="6.31564"
                           zFract="0.28423222"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0015"
                           xFract="-0.00017773"
                           y3="-0.00392"
                           yFract="-0.00046445"
                           z3="4.25989"
                           zFract="0.19171422"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36388"
                           xFract="0.99098104"
                           y3="0.15725"
                           yFract="0.01863152"
                           z3="8.4131"
                           zFract="0.37862736"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11064"
                           xFract="0.25007583"
                           y3="2.11416"
                           yFract="0.25049289"
                           z3="4.28528"
                           zFract="0.19285689"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00409"
                           xFract="0.23745142"
                           y3="2.00243"
                           yFract="0.23725474"
                           z3="8.5338"
                           zFract="0.38405941"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40233"
                           xFract="0.52160308"
                           y3="2.10759"
                           yFract="0.24971445"
                           z3="6.28843"
                           zFract="0.28300765"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33308"
                           xFract="0.75036493"
                           y3="8.35181"
                           yFract="0.98955095"
                           z3="6.32294"
                           zFract="0.28456076"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21126"
                           xFract="0.49896445"
                           y3="8.31106"
                           yFract="0.98472275"
                           z3="4.21139"
                           zFract="0.1895315"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34391"
                           xFract="0.51468128"
                           y3="-0.02029"
                           yFract="-0.00240403"
                           z3="8.48128"
                           zFract="0.38169577"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30359"
                           xFract="0.74687085"
                           y3="2.07218"
                           yFract="0.24551896"
                           z3="4.04542"
                           zFract="0.18206211"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.72971"
                           xFract="0.797359"
                           y3="2.23674"
                           yFract="0.26501659"
                           z3="9.07797"
                           zFract="0.4085495"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41388"
                           xFract="0.99690521"
                           y3="6.47726"
                           yFract="0.76744787"
                           z3="6.40306"
                           zFract="0.28816652"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94569"
                           xFract="0.23053199"
                           y3="4.23928"
                           yFract="0.50228436"
                           z3="6.45307"
                           zFract="0.29041719"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02207"
                           xFract="0.00261493"
                           y3="4.20224"
                           yFract="0.49789573"
                           z3="4.12283"
                           zFract="0.1855459"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.39099"
                           xFract="0.04632583"
                           y3="3.92385"
                           yFract="0.46491114"
                           z3="9.44038"
                           zFract="0.42485959"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20462"
                           xFract="0.2612109"
                           y3="6.32355"
                           yFract="0.74923578"
                           z3="4.29479"
                           zFract="0.19328488"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0140"
                           xFract="0.23862559"
                           y3="6.38737"
                           yFract="0.75679739"
                           z3="8.49017"
                           zFract="0.38209586"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22785"
                           xFract="0.50093009"
                           y3="6.33999"
                           yFract="0.75118365"
                           z3="6.29392"
                           zFract="0.28325473"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42953"
                           xFract="0.76179265"
                           y3="4.29696"
                           yFract="0.50911848"
                           z3="6.32198"
                           zFract="0.28451755"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18936"
                           xFract="0.49636967"
                           y3="4.3689"
                           yFract="0.51764218"
                           z3="4.29855"
                           zFract="0.1934541"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14346"
                           xFract="0.49093128"
                           y3="4.2406"
                           yFract="0.50244076"
                           z3="8.52058"
                           zFract="0.38346445"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18864"
                           xFract="0.73325118"
                           y3="6.36368"
                           yFract="0.75399052"
                           z3="4.23023"
                           zFract="0.19037939"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4658"
                           xFract="0.76609005"
                           y3="6.12247"
                           yFract="0.72541114"
                           z3="8.46166"
                           zFract="0.38081278"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.147">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.17064"
                           xFract="0.02021801"
                           y3="4.02767"
                           yFract="0.47721209"
                           z3="10.38263"
                           zFract="0.46726508"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03776"
                           xFract="-0.00447393"
                           y3="6.44201"
                           yFract="0.76327133"
                           z3="8.48472"
                           zFract="0.38185059"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33552"
                           xFract="0.75065403"
                           y3="0.00993"
                           yFract="0.00117654"
                           z3="4.24994"
                           zFract="0.19126643"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.13966"
                           xFract="0.01654739"
                           y3="2.04711"
                           yFract="0.24254858"
                           z3="8.91962"
                           zFract="0.40142304"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35628"
                           xFract="0.75311374"
                           y3="6.32312"
                           yFract="0.74918483"
                           z3="6.38091"
                           zFract="0.28716967"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20207"
                           xFract="0.49787559"
                           y3="6.33856"
                           yFract="0.75101422"
                           z3="4.23552"
                           zFract="0.19061746"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42062"
                           xFract="0.99770379"
                           y3="0.06632"
                           yFract="0.00785782"
                           z3="6.37128"
                           zFract="0.28673627"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41695"
                           xFract="0.99726896"
                           y3="2.10616"
                           yFract="0.24954502"
                           z3="4.19979"
                           zFract="0.18900945"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14324"
                           xFract="0.25393839"
                           y3="4.22012"
                           yFract="0.50001422"
                           z3="8.51675"
                           zFract="0.38329208"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08962"
                           xFract="0.24758531"
                           y3="4.20933"
                           yFract="0.49873578"
                           z3="4.26743"
                           zFract="0.19205356"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0698"
                           xFract="0.24523697"
                           y3="6.34371"
                           yFract="0.75162441"
                           z3="6.38954"
                           zFract="0.28755806"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09477"
                           xFract="0.2481955"
                           y3="0.00678"
                           yFract="0.00080332"
                           z3="4.22753"
                           zFract="0.19025788"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25363"
                           xFract="0.5039846"
                           y3="0.03257"
                           yFract="0.003859"
                           z3="6.32765"
                           zFract="0.28477273"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3540"
                           xFract="0.7528436"
                           y3="2.12711"
                           yFract="0.25202725"
                           z3="6.37773"
                           zFract="0.28702655"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.45768"
                           xFract="0.76512796"
                           y3="4.10979"
                           yFract="0.48694194"
                           z3="8.63813"
                           zFract="0.38875473"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2401"
                           xFract="0.50238152"
                           y3="2.16257"
                           yFract="0.25622867"
                           z3="8.57253"
                           zFract="0.38580243"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4248"
                           xFract="0.99819905"
                           y3="6.31273"
                           yFract="0.74795379"
                           z3="4.26582"
                           zFract="0.1919811"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39834"
                           xFract="0.99506398"
                           y3="4.18629"
                           yFract="0.49600592"
                           z3="6.41763"
                           zFract="0.28882223"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21466"
                           xFract="0.4993673"
                           y3="2.11547"
                           yFract="0.2506481"
                           z3="4.21943"
                           zFract="0.18989334"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03417"
                           xFract="0.2410154"
                           y3="2.09567"
                           yFract="0.24830213"
                           z3="6.4204"
                           zFract="0.28894689"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35937"
                           xFract="0.75347986"
                           y3="4.21124"
                           yFract="0.49896209"
                           z3="4.2525"
                           zFract="0.19138164"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38447"
                           xFract="0.51948697"
                           y3="6.31002"
                           yFract="0.7476327"
                           z3="8.49775"
                           zFract="0.38243699"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26827"
                           xFract="0.50571919"
                           y3="4.17788"
                           yFract="0.49500948"
                           z3="6.43474"
                           zFract="0.28959226"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17208"
                           xFract="0.25735545"
                           y3="-0.02315"
                           yFract="-0.00274289"
                           z3="8.45737"
                           zFract="0.38061971"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32576"
                           xFract="0.74949763"
                           y3="0.31824"
                           yFract="0.03770616"
                           z3="8.48467"
                           zFract="0.38184833"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27261"
                           xFract="0.98016706"
                           y3="2.04353"
                           yFract="0.24212441"
                           z3="6.2223"
                           zFract="0.2800315"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15444"
                           xFract="0.2552654"
                           y3="8.43493"
                           yFract="0.99939929"
                           z3="6.31499"
                           zFract="0.28420297"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00182"
                           xFract="-0.00021564"
                           y3="-0.00314"
                           yFract="-0.00037204"
                           z3="4.2597"
                           zFract="0.19170567"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36311"
                           xFract="0.99088981"
                           y3="0.15821"
                           yFract="0.01874526"
                           z3="8.41292"
                           zFract="0.37861926"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11091"
                           xFract="0.25010782"
                           y3="2.11405"
                           yFract="0.25047986"
                           z3="4.28612"
                           zFract="0.19289469"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00546"
                           xFract="0.23761374"
                           y3="2.00135"
                           yFract="0.23712678"
                           z3="8.53374"
                           zFract="0.38405671"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40257"
                           xFract="0.52163152"
                           y3="2.10723"
                           yFract="0.2496718"
                           z3="6.2887"
                           zFract="0.2830198"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33296"
                           xFract="0.75035071"
                           y3="8.35108"
                           yFract="0.98946445"
                           z3="6.32202"
                           zFract="0.28451935"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21122"
                           xFract="0.49895972"
                           y3="8.31104"
                           yFract="0.98472038"
                           z3="4.21165"
                           zFract="0.1895432"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34488"
                           xFract="0.51479621"
                           y3="-0.02114"
                           yFract="-0.00250474"
                           z3="8.48099"
                           zFract="0.38168272"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30266"
                           xFract="0.74676066"
                           y3="2.07235"
                           yFract="0.2455391"
                           z3="4.04561"
                           zFract="0.18207066"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.73295"
                           xFract="0.79774289"
                           y3="2.23756"
                           yFract="0.26511374"
                           z3="9.0815"
                           zFract="0.40870837"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41363"
                           xFract="0.99687559"
                           y3="6.47765"
                           yFract="0.76749408"
                           z3="6.40289"
                           zFract="0.28815887"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94599"
                           xFract="0.23056754"
                           y3="4.23921"
                           yFract="0.50227607"
                           z3="6.45348"
                           zFract="0.29043564"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02182"
                           xFract="0.00258531"
                           y3="4.20197"
                           yFract="0.49786374"
                           z3="4.12296"
                           zFract="0.18555176"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.3942"
                           xFract="0.04670616"
                           y3="3.92216"
                           yFract="0.4647109"
                           z3="9.4455"
                           zFract="0.42509001"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20421"
                           xFract="0.26116232"
                           y3="6.3234"
                           yFract="0.74921801"
                           z3="4.29477"
                           zFract="0.19328398"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01332"
                           xFract="0.23854502"
                           y3="6.38755"
                           yFract="0.75681872"
                           z3="8.4898"
                           zFract="0.38207921"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22817"
                           xFract="0.50096801"
                           y3="6.33991"
                           yFract="0.75117417"
                           z3="6.29303"
                           zFract="0.28321467"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42929"
                           xFract="0.76176422"
                           y3="4.29684"
                           yFract="0.50910427"
                           z3="6.32165"
                           zFract="0.2845027"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18973"
                           xFract="0.49641351"
                           y3="4.36868"
                           yFract="0.51761611"
                           z3="4.29872"
                           zFract="0.19346175"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14316"
                           xFract="0.49089573"
                           y3="4.2420"
                           yFract="0.50260664"
                           z3="8.52044"
                           zFract="0.38345815"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18948"
                           xFract="0.73335071"
                           y3="6.36353"
                           yFract="0.75397275"
                           z3="4.2300"
                           zFract="0.19036904"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46733"
                           xFract="0.76627133"
                           y3="6.1203"
                           yFract="0.72515403"
                           z3="8.46089"
                           zFract="0.38077813"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.148">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.17516"
                           xFract="0.02075355"
                           y3="4.02353"
                           yFract="0.47672156"
                           z3="10.38639"
                           zFract="0.46743429"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03868"
                           xFract="-0.00458294"
                           y3="6.4445"
                           yFract="0.76356635"
                           z3="8.48401"
                           zFract="0.38181863"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33518"
                           xFract="0.75061374"
                           y3="0.0100"
                           yFract="0.00118483"
                           z3="4.24964"
                           zFract="0.19125293"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.1413"
                           xFract="0.01674171"
                           y3="2.04511"
                           yFract="0.24231161"
                           z3="8.92352"
                           zFract="0.40159856"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35633"
                           xFract="0.75311967"
                           y3="6.3227"
                           yFract="0.74913507"
                           z3="6.37968"
                           zFract="0.28711431"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20107"
                           xFract="0.49775711"
                           y3="6.33879"
                           yFract="0.75104147"
                           z3="4.23453"
                           zFract="0.19057291"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41977"
                           xFract="0.99760308"
                           y3="0.06697"
                           yFract="0.00793483"
                           z3="6.37189"
                           zFract="0.28676373"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4167"
                           xFract="0.99723934"
                           y3="2.10634"
                           yFract="0.24956635"
                           z3="4.20034"
                           zFract="0.1890342"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14428"
                           xFract="0.25406161"
                           y3="4.22486"
                           yFract="0.50057583"
                           z3="8.51805"
                           zFract="0.38335059"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08967"
                           xFract="0.24759123"
                           y3="4.20975"
                           yFract="0.49878555"
                           z3="4.2676"
                           zFract="0.19206121"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06975"
                           xFract="0.24523104"
                           y3="6.34381"
                           yFract="0.75163626"
                           z3="6.38961"
                           zFract="0.28756121"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09499"
                           xFract="0.24822156"
                           y3="0.0063"
                           yFract="0.00074645"
                           z3="4.22698"
                           zFract="0.19023312"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25346"
                           xFract="0.50396445"
                           y3="0.03149"
                           yFract="0.00373104"
                           z3="6.32761"
                           zFract="0.28477093"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35466"
                           xFract="0.7529218"
                           y3="2.12663"
                           yFract="0.25197038"
                           z3="6.37833"
                           zFract="0.28705356"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.46576"
                           xFract="0.76608531"
                           y3="4.10727"
                           yFract="0.48664336"
                           z3="8.6370"
                           zFract="0.38870387"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23663"
                           xFract="0.50197038"
                           y3="2.16369"
                           yFract="0.25636137"
                           z3="8.56995"
                           zFract="0.38568632"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42494"
                           xFract="0.99821564"
                           y3="6.31212"
                           yFract="0.74788152"
                           z3="4.2657"
                           zFract="0.1919757"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39848"
                           xFract="0.99508057"
                           y3="4.18514"
                           yFract="0.49586967"
                           z3="6.41879"
                           zFract="0.28887444"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21496"
                           xFract="0.49940284"
                           y3="2.11587"
                           yFract="0.2506955"
                           z3="4.2204"
                           zFract="0.18993699"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03358"
                           xFract="0.2409455"
                           y3="2.09626"
                           yFract="0.24837204"
                           z3="6.42101"
                           zFract="0.28897435"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36007"
                           xFract="0.7535628"
                           y3="4.21116"
                           yFract="0.49895261"
                           z3="4.2522"
                           zFract="0.19136814"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38945"
                           xFract="0.52007701"
                           y3="6.30973"
                           yFract="0.74759834"
                           z3="8.49921"
                           zFract="0.3825027"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26847"
                           xFract="0.50574289"
                           y3="4.17837"
                           yFract="0.49506754"
                           z3="6.43535"
                           zFract="0.28961971"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17304"
                           xFract="0.25746919"
                           y3="-0.02463"
                           yFract="-0.00291825"
                           z3="8.45607"
                           zFract="0.38056121"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32551"
                           xFract="0.74946801"
                           y3="0.32563"
                           yFract="0.03858175"
                           z3="8.48432"
                           zFract="0.38183258"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2731"
                           xFract="0.98022512"
                           y3="2.04276"
                           yFract="0.24203318"
                           z3="6.22003"
                           zFract="0.27992934"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15514"
                           xFract="0.25534834"
                           y3="8.43425"
                           yFract="0.99931872"
                           z3="6.31368"
                           zFract="0.28414401"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00246"
                           xFract="-0.00029147"
                           y3="-0.00158"
                           yFract="-0.0001872"
                           z3="4.25931"
                           zFract="0.19168812"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36159"
                           xFract="0.99070972"
                           y3="0.16014"
                           yFract="0.01897393"
                           z3="8.41257"
                           zFract="0.37860351"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11145"
                           xFract="0.2501718"
                           y3="2.11381"
                           yFract="0.25045142"
                           z3="4.28778"
                           zFract="0.1929694"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0082"
                           xFract="0.23793839"
                           y3="1.99918"
                           yFract="0.23686967"
                           z3="8.53362"
                           zFract="0.38405131"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40305"
                           xFract="0.52168839"
                           y3="2.1065"
                           yFract="0.24958531"
                           z3="6.28923"
                           zFract="0.28304365"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33271"
                           xFract="0.75032109"
                           y3="8.34963"
                           yFract="0.98929265"
                           z3="6.3202"
                           zFract="0.28443744"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21113"
                           xFract="0.49894905"
                           y3="8.31099"
                           yFract="0.98471445"
                           z3="4.21217"
                           zFract="0.18956661"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34682"
                           xFract="0.51502607"
                           y3="-0.02284"
                           yFract="-0.00270616"
                           z3="8.48042"
                           zFract="0.38165707"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3008"
                           xFract="0.74654028"
                           y3="2.07268"
                           yFract="0.2455782"
                           z3="4.04598"
                           zFract="0.18208731"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.73943"
                           xFract="0.79851066"
                           y3="2.2392"
                           yFract="0.26530806"
                           z3="9.08856"
                           zFract="0.4090261"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41314"
                           xFract="0.99681754"
                           y3="6.47843"
                           yFract="0.76758649"
                           z3="6.40255"
                           zFract="0.28814356"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94659"
                           xFract="0.23063863"
                           y3="4.23907"
                           yFract="0.50225948"
                           z3="6.4543"
                           zFract="0.29047255"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02133"
                           xFract="0.00252725"
                           y3="4.20144"
                           yFract="0.49780095"
                           z3="4.1232"
                           zFract="0.18556256"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.4006"
                           xFract="0.04746445"
                           y3="3.91878"
                           yFract="0.46431043"
                           z3="9.45573"
                           zFract="0.42555041"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20339"
                           xFract="0.26106517"
                           y3="6.3231"
                           yFract="0.74918246"
                           z3="4.29473"
                           zFract="0.19328218"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01196"
                           xFract="0.23838389"
                           y3="6.3879"
                           yFract="0.75686019"
                           z3="8.48904"
                           zFract="0.382045"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22882"
                           xFract="0.50104502"
                           y3="6.33974"
                           yFract="0.75115403"
                           z3="6.29124"
                           zFract="0.28313411"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4288"
                           xFract="0.76170616"
                           y3="4.29659"
                           yFract="0.50907464"
                           z3="6.32098"
                           zFract="0.28447255"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19046"
                           xFract="0.4965"
                           y3="4.36822"
                           yFract="0.51756161"
                           z3="4.29908"
                           zFract="0.19347795"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14254"
                           xFract="0.49082227"
                           y3="4.24478"
                           yFract="0.50293602"
                           z3="8.52018"
                           zFract="0.38344644"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19114"
                           xFract="0.73354739"
                           y3="6.36322"
                           yFract="0.75393602"
                           z3="4.22955"
                           zFract="0.19034878"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.47041"
                           xFract="0.76663626"
                           y3="6.11594"
                           yFract="0.72463744"
                           z3="8.45937"
                           zFract="0.38070972"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.149">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1731"
                           xFract="0.02050948"
                           y3="4.02542"
                           yFract="0.4769455"
                           z3="10.38467"
                           zFract="0.46735689"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03826"
                           xFract="-0.00453318"
                           y3="6.44336"
                           yFract="0.76343128"
                           z3="8.48433"
                           zFract="0.38183303"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33534"
                           xFract="0.7506327"
                           y3="0.00996"
                           yFract="0.00118009"
                           z3="4.24978"
                           zFract="0.19125923"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14055"
                           xFract="0.01665284"
                           y3="2.04603"
                           yFract="0.24242062"
                           z3="8.92174"
                           zFract="0.40151845"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3563"
                           xFract="0.75311611"
                           y3="6.32289"
                           yFract="0.74915758"
                           z3="6.38024"
                           zFract="0.28713951"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20153"
                           xFract="0.49781161"
                           y3="6.33868"
                           yFract="0.75102844"
                           z3="4.23498"
                           zFract="0.19059316"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42016"
                           xFract="0.99764929"
                           y3="0.06667"
                           yFract="0.00789929"
                           z3="6.37161"
                           zFract="0.28675113"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41682"
                           xFract="0.99725355"
                           y3="2.10625"
                           yFract="0.24955569"
                           z3="4.20009"
                           zFract="0.18902295"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1438"
                           xFract="0.25400474"
                           y3="4.2227"
                           yFract="0.50031991"
                           z3="8.51746"
                           zFract="0.38332403"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08965"
                           xFract="0.24758886"
                           y3="4.20956"
                           yFract="0.49876303"
                           z3="4.26752"
                           zFract="0.19205761"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06977"
                           xFract="0.24523341"
                           y3="6.34377"
                           yFract="0.75163152"
                           z3="6.38958"
                           zFract="0.28755986"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09489"
                           xFract="0.24820972"
                           y3="0.00652"
                           yFract="0.00077251"
                           z3="4.22723"
                           zFract="0.19024437"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25353"
                           xFract="0.50397275"
                           y3="0.03198"
                           yFract="0.0037891"
                           z3="6.32763"
                           zFract="0.28477183"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35436"
                           xFract="0.75288626"
                           y3="2.12685"
                           yFract="0.25199645"
                           z3="6.37806"
                           zFract="0.2870414"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.46207"
                           xFract="0.7656481"
                           y3="4.10842"
                           yFract="0.48677962"
                           z3="8.63751"
                           zFract="0.38872682"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23821"
                           xFract="0.50215758"
                           y3="2.16318"
                           yFract="0.25630095"
                           z3="8.57113"
                           zFract="0.38573942"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42488"
                           xFract="0.99820853"
                           y3="6.3124"
                           yFract="0.74791469"
                           z3="4.26576"
                           zFract="0.1919784"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39842"
                           xFract="0.99507346"
                           y3="4.18567"
                           yFract="0.49593246"
                           z3="6.41826"
                           zFract="0.28885059"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21482"
                           xFract="0.49938626"
                           y3="2.11569"
                           yFract="0.25067417"
                           z3="4.21995"
                           zFract="0.18991674"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03385"
                           xFract="0.24097749"
                           y3="2.09599"
                           yFract="0.24834005"
                           z3="6.42073"
                           zFract="0.28896175"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35975"
                           xFract="0.75352488"
                           y3="4.21119"
                           yFract="0.49895616"
                           z3="4.25234"
                           zFract="0.19137444"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38718"
                           xFract="0.51980806"
                           y3="6.30986"
                           yFract="0.74761374"
                           z3="8.49855"
                           zFract="0.382473"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26838"
                           xFract="0.50573223"
                           y3="4.17815"
                           yFract="0.49504147"
                           z3="6.43507"
                           zFract="0.28960711"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17261"
                           xFract="0.25741825"
                           y3="-0.02395"
                           yFract="-0.00283768"
                           z3="8.45666"
                           zFract="0.38058776"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32563"
                           xFract="0.74948223"
                           y3="0.32226"
                           yFract="0.03818246"
                           z3="8.48448"
                           zFract="0.38183978"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27288"
                           xFract="0.98019905"
                           y3="2.04311"
                           yFract="0.24207464"
                           z3="6.22107"
                           zFract="0.27997615"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15482"
                           xFract="0.25531043"
                           y3="8.43456"
                           yFract="0.99935545"
                           z3="6.31428"
                           zFract="0.28417102"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00217"
                           xFract="-0.00025711"
                           y3="-0.00229"
                           yFract="-0.00027133"
                           z3="4.25949"
                           zFract="0.19169622"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36229"
                           xFract="0.99079265"
                           y3="0.15926"
                           yFract="0.01886967"
                           z3="8.41273"
                           zFract="0.37861071"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1112"
                           xFract="0.25014218"
                           y3="2.11392"
                           yFract="0.25046445"
                           z3="4.28702"
                           zFract="0.19293519"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00695"
                           xFract="0.23779028"
                           y3="2.00017"
                           yFract="0.23698697"
                           z3="8.53367"
                           zFract="0.38405356"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40283"
                           xFract="0.52166232"
                           y3="2.10683"
                           yFract="0.24962441"
                           z3="6.28899"
                           zFract="0.28303285"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33282"
                           xFract="0.75033412"
                           y3="8.35029"
                           yFract="0.98937085"
                           z3="6.32103"
                           zFract="0.2844748"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21117"
                           xFract="0.49895379"
                           y3="8.31101"
                           yFract="0.98471682"
                           z3="4.21193"
                           zFract="0.18955581"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34593"
                           xFract="0.51492062"
                           y3="-0.02207"
                           yFract="-0.00261493"
                           z3="8.48068"
                           zFract="0.38166877"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30165"
                           xFract="0.746641"
                           y3="2.07253"
                           yFract="0.24556043"
                           z3="4.04581"
                           zFract="0.18207966"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.73647"
                           xFract="0.79815995"
                           y3="2.23845"
                           yFract="0.26521919"
                           z3="9.08534"
                           zFract="0.40888119"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41337"
                           xFract="0.99684479"
                           y3="6.47807"
                           yFract="0.76754384"
                           z3="6.40271"
                           zFract="0.28815077"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94632"
                           xFract="0.23060664"
                           y3="4.23913"
                           yFract="0.50226659"
                           z3="6.45393"
                           zFract="0.2904559"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02155"
                           xFract="0.00255332"
                           y3="4.20169"
                           yFract="0.49783057"
                           z3="4.12309"
                           zFract="0.18555761"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.39768"
                           xFract="0.04711848"
                           y3="3.92032"
                           yFract="0.46449289"
                           z3="9.45106"
                           zFract="0.42534023"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20377"
                           xFract="0.26111019"
                           y3="6.32323"
                           yFract="0.74919787"
                           z3="4.29475"
                           zFract="0.19328308"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01258"
                           xFract="0.23845735"
                           y3="6.38774"
                           yFract="0.75684123"
                           z3="8.48939"
                           zFract="0.38206076"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22853"
                           xFract="0.50101066"
                           y3="6.33981"
                           yFract="0.75116232"
                           z3="6.29205"
                           zFract="0.28317057"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42903"
                           xFract="0.76173341"
                           y3="4.2967"
                           yFract="0.50908768"
                           z3="6.32128"
                           zFract="0.28448605"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19013"
                           xFract="0.4964609"
                           y3="4.36843"
                           yFract="0.51758649"
                           z3="4.29892"
                           zFract="0.19347075"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14282"
                           xFract="0.49085545"
                           y3="4.24351"
                           yFract="0.50278555"
                           z3="8.5203"
                           zFract="0.38345185"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19038"
                           xFract="0.73345735"
                           y3="6.36336"
                           yFract="0.75395261"
                           z3="4.22975"
                           zFract="0.19035779"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4690"
                           xFract="0.76646919"
                           y3="6.11793"
                           yFract="0.72487322"
                           z3="8.46006"
                           zFract="0.38074077"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.150">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.17325"
                           xFract="0.02052725"
                           y3="4.02526"
                           yFract="0.47692654"
                           z3="10.3850"
                           zFract="0.46737174"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03829"
                           xFract="-0.00453673"
                           y3="6.44347"
                           yFract="0.76344431"
                           z3="8.4843"
                           zFract="0.38183168"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33533"
                           xFract="0.75063152"
                           y3="0.00997"
                           yFract="0.00118128"
                           z3="4.24976"
                           zFract="0.19125833"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14061"
                           xFract="0.01665995"
                           y3="2.04596"
                           yFract="0.24241232"
                           z3="8.92191"
                           zFract="0.4015261"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35631"
                           xFract="0.7531173"
                           y3="6.32287"
                           yFract="0.74915521"
                           z3="6.38019"
                           zFract="0.28713726"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20151"
                           xFract="0.49780924"
                           y3="6.33868"
                           yFract="0.75102844"
                           z3="4.23495"
                           zFract="0.19059181"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42013"
                           xFract="0.99764573"
                           y3="0.06669"
                           yFract="0.00790166"
                           z3="6.37162"
                           zFract="0.28675158"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41681"
                           xFract="0.99725237"
                           y3="2.10626"
                           yFract="0.24955687"
                           z3="4.2001"
                           zFract="0.1890234"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14384"
                           xFract="0.25400948"
                           y3="4.2229"
                           yFract="0.5003436"
                           z3="8.51752"
                           zFract="0.38332673"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08965"
                           xFract="0.24758886"
                           y3="4.20957"
                           yFract="0.49876422"
                           z3="4.26753"
                           zFract="0.19205806"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06977"
                           xFract="0.24523341"
                           y3="6.34377"
                           yFract="0.75163152"
                           z3="6.38958"
                           zFract="0.28755986"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09489"
                           xFract="0.24820972"
                           y3="0.0065"
                           yFract="0.00077014"
                           z3="4.22721"
                           zFract="0.19024347"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25353"
                           xFract="0.50397275"
                           y3="0.03194"
                           yFract="0.00378436"
                           z3="6.32763"
                           zFract="0.28477183"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35438"
                           xFract="0.75288863"
                           y3="2.12683"
                           yFract="0.25199408"
                           z3="6.37808"
                           zFract="0.2870423"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.46241"
                           xFract="0.76568839"
                           y3="4.10831"
                           yFract="0.48676659"
                           z3="8.63747"
                           zFract="0.38872502"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23807"
                           xFract="0.502141"
                           y3="2.16323"
                           yFract="0.25630687"
                           z3="8.57101"
                           zFract="0.38573402"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42488"
                           xFract="0.99820853"
                           y3="6.31238"
                           yFract="0.74791232"
                           z3="4.26575"
                           zFract="0.19197795"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39842"
                           xFract="0.99507346"
                           y3="4.18562"
                           yFract="0.49592654"
                           z3="6.41831"
                           zFract="0.28885284"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21483"
                           xFract="0.49938744"
                           y3="2.1157"
                           yFract="0.25067536"
                           z3="4.21999"
                           zFract="0.18991854"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03383"
                           xFract="0.24097512"
                           y3="2.09601"
                           yFract="0.24834242"
                           z3="6.42075"
                           zFract="0.28896265"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35977"
                           xFract="0.75352725"
                           y3="4.21119"
                           yFract="0.49895616"
                           z3="4.25233"
                           zFract="0.19137399"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38739"
                           xFract="0.51983294"
                           y3="6.30985"
                           yFract="0.74761256"
                           z3="8.4986"
                           zFract="0.38247525"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26839"
                           xFract="0.50573341"
                           y3="4.17817"
                           yFract="0.49504384"
                           z3="6.4351"
                           zFract="0.28960846"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17265"
                           xFract="0.25742299"
                           y3="-0.02402"
                           yFract="-0.00284597"
                           z3="8.45661"
                           zFract="0.38058551"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32561"
                           xFract="0.74947986"
                           y3="0.32258"
                           yFract="0.03822038"
                           z3="8.48446"
                           zFract="0.38183888"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27289"
                           xFract="0.98020024"
                           y3="2.04308"
                           yFract="0.24207109"
                           z3="6.22099"
                           zFract="0.27997255"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15485"
                           xFract="0.25531398"
                           y3="8.43453"
                           yFract="0.9993519"
                           z3="6.31423"
                           zFract="0.28416877"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00219"
                           xFract="-0.00025948"
                           y3="-0.00223"
                           yFract="-0.00026422"
                           z3="4.25947"
                           zFract="0.19169532"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36223"
                           xFract="0.99078555"
                           y3="0.15933"
                           yFract="0.01887796"
                           z3="8.41271"
                           zFract="0.37860981"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11123"
                           xFract="0.25014573"
                           y3="2.11391"
                           yFract="0.25046327"
                           z3="4.28709"
                           zFract="0.19293834"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00707"
                           xFract="0.2378045"
                           y3="2.00007"
                           yFract="0.23697512"
                           z3="8.53366"
                           zFract="0.38405311"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40286"
                           xFract="0.52166588"
                           y3="2.10681"
                           yFract="0.24962204"
                           z3="6.28902"
                           zFract="0.2830342"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33281"
                           xFract="0.75033294"
                           y3="8.35023"
                           yFract="0.98936374"
                           z3="6.32096"
                           zFract="0.28447165"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21116"
                           xFract="0.49895261"
                           y3="8.31101"
                           yFract="0.98471682"
                           z3="4.21195"
                           zFract="0.18955671"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34601"
                           xFract="0.51493009"
                           y3="-0.02214"
                           yFract="-0.00262322"
                           z3="8.48066"
                           zFract="0.38166787"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30158"
                           xFract="0.7466327"
                           y3="2.07254"
                           yFract="0.24556161"
                           z3="4.04582"
                           zFract="0.18208011"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.73675"
                           xFract="0.79819313"
                           y3="2.23851"
                           yFract="0.2652263"
                           z3="9.08563"
                           zFract="0.40889424"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41335"
                           xFract="0.99684242"
                           y3="6.47811"
                           yFract="0.76754858"
                           z3="6.40269"
                           zFract="0.28814986"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94634"
                           xFract="0.230609"
                           y3="4.23913"
                           yFract="0.50226659"
                           z3="6.45396"
                           zFract="0.29045725"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02154"
                           xFract="0.00255213"
                           y3="4.20166"
                           yFract="0.49782701"
                           z3="4.1231"
                           zFract="0.18555806"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.3980"
                           xFract="0.0471564"
                           y3="3.92015"
                           yFract="0.46447275"
                           z3="9.45132"
                           zFract="0.42535194"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20373"
                           xFract="0.26110545"
                           y3="6.32322"
                           yFract="0.74919668"
                           z3="4.29475"
                           zFract="0.19328308"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01252"
                           xFract="0.23845024"
                           y3="6.38776"
                           yFract="0.7568436"
                           z3="8.48936"
                           zFract="0.38205941"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22855"
                           xFract="0.50101303"
                           y3="6.33981"
                           yFract="0.75116232"
                           z3="6.29198"
                           zFract="0.28316742"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42901"
                           xFract="0.76173104"
                           y3="4.29669"
                           yFract="0.50908649"
                           z3="6.32126"
                           zFract="0.28448515"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19015"
                           xFract="0.49646327"
                           y3="4.36842"
                           yFract="0.51758531"
                           z3="4.29893"
                           zFract="0.1934712"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14279"
                           xFract="0.4908519"
                           y3="4.24363"
                           yFract="0.50279976"
                           z3="8.52029"
                           zFract="0.3834514"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19044"
                           xFract="0.73346445"
                           y3="6.36335"
                           yFract="0.75395142"
                           z3="4.22973"
                           zFract="0.19035689"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46913"
                           xFract="0.7664846"
                           y3="6.11775"
                           yFract="0.7248519"
                           z3="8.4600"
                           zFract="0.38073807"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.151">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.17372"
                           xFract="0.02058294"
                           y3="4.02478"
                           yFract="0.47686967"
                           z3="10.38598"
                           zFract="0.46741584"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0384"
                           xFract="-0.00454976"
                           y3="6.44379"
                           yFract="0.76348223"
                           z3="8.48421"
                           zFract="0.38182763"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33529"
                           xFract="0.75062678"
                           y3="0.00997"
                           yFract="0.00118128"
                           z3="4.24972"
                           zFract="0.19125653"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.1408"
                           xFract="0.01668246"
                           y3="2.04578"
                           yFract="0.242391"
                           z3="8.92244"
                           zFract="0.40154995"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35632"
                           xFract="0.75311848"
                           y3="6.32281"
                           yFract="0.7491481"
                           z3="6.38004"
                           zFract="0.28713051"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20147"
                           xFract="0.4978045"
                           y3="6.33865"
                           yFract="0.75102488"
                           z3="4.23484"
                           zFract="0.19058686"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42003"
                           xFract="0.99763389"
                           y3="0.06675"
                           yFract="0.00790877"
                           z3="6.37166"
                           zFract="0.28675338"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41678"
                           xFract="0.99724882"
                           y3="2.10628"
                           yFract="0.24955924"
                           z3="4.20013"
                           zFract="0.18902475"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14393"
                           xFract="0.25402014"
                           y3="4.22351"
                           yFract="0.50041588"
                           z3="8.5177"
                           zFract="0.38333483"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08967"
                           xFract="0.24759123"
                           y3="4.20962"
                           yFract="0.49877014"
                           z3="4.26756"
                           zFract="0.19205941"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06976"
                           xFract="0.24523223"
                           y3="6.34378"
                           yFract="0.7516327"
                           z3="6.38959"
                           zFract="0.28756031"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0949"
                           xFract="0.2482109"
                           y3="0.00645"
                           yFract="0.00076422"
                           z3="4.22715"
                           zFract="0.19024077"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25352"
                           xFract="0.50397156"
                           y3="0.03181"
                           yFract="0.00376896"
                           z3="6.32762"
                           zFract="0.28477138"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35446"
                           xFract="0.7528981"
                           y3="2.12677"
                           yFract="0.25198697"
                           z3="6.37815"
                           zFract="0.28704545"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.46344"
                           xFract="0.76581043"
                           y3="4.1080"
                           yFract="0.48672986"
                           z3="8.63732"
                           zFract="0.38871827"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23762"
                           xFract="0.50208768"
                           y3="2.16339"
                           yFract="0.25632583"
                           z3="8.57068"
                           zFract="0.38571917"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42489"
                           xFract="0.99820972"
                           y3="6.31231"
                           yFract="0.74790403"
                           z3="4.26574"
                           zFract="0.1919775"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39844"
                           xFract="0.99507583"
                           y3="4.18548"
                           yFract="0.49590995"
                           z3="6.41847"
                           zFract="0.28886004"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21486"
                           xFract="0.499391"
                           y3="2.11575"
                           yFract="0.25068128"
                           z3="4.22011"
                           zFract="0.18992394"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03376"
                           xFract="0.24096682"
                           y3="2.09608"
                           yFract="0.24835071"
                           z3="6.42083"
                           zFract="0.28896625"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.35985"
                           xFract="0.75353673"
                           y3="4.21119"
                           yFract="0.49895616"
                           z3="4.25229"
                           zFract="0.19137219"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38805"
                           xFract="0.51991114"
                           y3="6.3098"
                           yFract="0.74760664"
                           z3="8.49878"
                           zFract="0.38248335"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26842"
                           xFract="0.50573697"
                           y3="4.17823"
                           yFract="0.49505095"
                           z3="6.43518"
                           zFract="0.28961206"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17278"
                           xFract="0.25743839"
                           y3="-0.02422"
                           yFract="-0.00286967"
                           z3="8.45644"
                           zFract="0.38057786"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32556"
                           xFract="0.74947393"
                           y3="0.32355"
                           yFract="0.03833531"
                           z3="8.48442"
                           zFract="0.38183708"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27293"
                           xFract="0.98020498"
                           y3="2.04299"
                           yFract="0.24206043"
                           z3="6.22077"
                           zFract="0.27996265"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15493"
                           xFract="0.25532346"
                           y3="8.43445"
                           yFract="0.99934242"
                           z3="6.31409"
                           zFract="0.28416247"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00226"
                           xFract="-0.00026777"
                           y3="-0.00206"
                           yFract="-0.00024408"
                           z3="4.25942"
                           zFract="0.19169307"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36206"
                           xFract="0.9907654"
                           y3="0.15955"
                           yFract="0.01890403"
                           z3="8.41267"
                           zFract="0.37860801"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11131"
                           xFract="0.25015521"
                           y3="2.11389"
                           yFract="0.2504609"
                           z3="4.28728"
                           zFract="0.19294689"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00744"
                           xFract="0.23784834"
                           y3="1.99979"
                           yFract="0.23694194"
                           z3="8.53363"
                           zFract="0.38405176"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40293"
                           xFract="0.52167417"
                           y3="2.10672"
                           yFract="0.24961137"
                           z3="6.2891"
                           zFract="0.2830378"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33278"
                           xFract="0.75032938"
                           y3="8.35006"
                           yFract="0.9893436"
                           z3="6.32075"
                           zFract="0.2844622"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21114"
                           xFract="0.49895024"
                           y3="8.31101"
                           yFract="0.98471682"
                           z3="4.21199"
                           zFract="0.18955851"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34626"
                           xFract="0.51495972"
                           y3="-0.02237"
                           yFract="-0.00265047"
                           z3="8.48059"
                           zFract="0.38166472"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30135"
                           xFract="0.74660545"
                           y3="2.07257"
                           yFract="0.24556517"
                           z3="4.04586"
                           zFract="0.18208191"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.73759"
                           xFract="0.79829265"
                           y3="2.23869"
                           yFract="0.26524763"
                           z3="9.08652"
                           zFract="0.40893429"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4133"
                           xFract="0.99683649"
                           y3="6.47822"
                           yFract="0.76756161"
                           z3="6.40264"
                           zFract="0.28814761"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9464"
                           xFract="0.23061611"
                           y3="4.23912"
                           yFract="0.5022654"
                           z3="6.45407"
                           zFract="0.2904622"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0215"
                           xFract="0.00254739"
                           y3="4.20159"
                           yFract="0.49781872"
                           z3="4.12313"
                           zFract="0.18555941"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.39899"
                           xFract="0.0472737"
                           y3="3.91962"
                           yFract="0.46440995"
                           z3="9.45212"
                           zFract="0.42538794"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20361"
                           xFract="0.26109123"
                           y3="6.32318"
                           yFract="0.74919194"
                           z3="4.29474"
                           zFract="0.19328263"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01234"
                           xFract="0.23842891"
                           y3="6.38783"
                           yFract="0.7568519"
                           z3="8.48927"
                           zFract="0.38205536"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22861"
                           xFract="0.50102014"
                           y3="6.33979"
                           yFract="0.75115995"
                           z3="6.29175"
                           zFract="0.28315707"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42896"
                           xFract="0.76172512"
                           y3="4.29666"
                           yFract="0.50908294"
                           z3="6.32117"
                           zFract="0.2844811"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19021"
                           xFract="0.49647038"
                           y3="4.36839"
                           yFract="0.51758175"
                           z3="4.29896"
                           zFract="0.19347255"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14271"
                           xFract="0.49084242"
                           y3="4.24397"
                           yFract="0.50284005"
                           z3="8.52025"
                           zFract="0.38344959"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19062"
                           xFract="0.73348578"
                           y3="6.36332"
                           yFract="0.75394787"
                           z3="4.22967"
                           zFract="0.19035419"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.46951"
                           xFract="0.76652962"
                           y3="6.11721"
                           yFract="0.72478791"
                           z3="8.45981"
                           zFract="0.38072952"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.152">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.17466"
                           xFract="0.02069431"
                           y3="4.02381"
                           yFract="0.47675474"
                           z3="10.38794"
                           zFract="0.46750405"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03862"
                           xFract="-0.00457583"
                           y3="6.44443"
                           yFract="0.76355806"
                           z3="8.48402"
                           zFract="0.38181908"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33523"
                           xFract="0.75061967"
                           y3="0.00999"
                           yFract="0.00118365"
                           z3="4.24963"
                           zFract="0.19125248"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14118"
                           xFract="0.01672749"
                           y3="2.0454"
                           yFract="0.24234597"
                           z3="8.9235"
                           zFract="0.40159766"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35634"
                           xFract="0.75312085"
                           y3="6.32268"
                           yFract="0.7491327"
                           z3="6.37973"
                           zFract="0.28711656"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20137"
                           xFract="0.49779265"
                           y3="6.33861"
                           yFract="0.75102014"
                           z3="4.23462"
                           zFract="0.19057696"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41982"
                           xFract="0.997609"
                           y3="0.06687"
                           yFract="0.00792299"
                           z3="6.37173"
                           zFract="0.28675653"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41673"
                           xFract="0.99724289"
                           y3="2.10632"
                           yFract="0.24956398"
                           z3="4.20021"
                           zFract="0.18902835"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14412"
                           xFract="0.25404265"
                           y3="4.22473"
                           yFract="0.50056043"
                           z3="8.51807"
                           zFract="0.38335149"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08969"
                           xFract="0.2475936"
                           y3="4.2097"
                           yFract="0.49877962"
                           z3="4.26761"
                           zFract="0.19206166"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06974"
                           xFract="0.24522986"
                           y3="6.3438"
                           yFract="0.75163507"
                           z3="6.3896"
                           zFract="0.28756076"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09493"
                           xFract="0.24821445"
                           y3="0.00636"
                           yFract="0.00075355"
                           z3="4.22703"
                           zFract="0.19023537"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25349"
                           xFract="0.50396801"
                           y3="0.03154"
                           yFract="0.00373697"
                           z3="6.32761"
                           zFract="0.28477093"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3546"
                           xFract="0.75291469"
                           y3="2.12666"
                           yFract="0.25197393"
                           z3="6.37828"
                           zFract="0.28705131"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.46551"
                           xFract="0.76605569"
                           y3="4.10738"
                           yFract="0.4866564"
                           z3="8.63702"
                           zFract="0.38870477"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23674"
                           xFract="0.50198341"
                           y3="2.1637"
                           yFract="0.25636256"
                           z3="8.57001"
                           zFract="0.38568902"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42491"
                           xFract="0.99821209"
                           y3="6.31219"
                           yFract="0.74788981"
                           z3="4.26572"
                           zFract="0.1919766"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39847"
                           xFract="0.99507938"
                           y3="4.18519"
                           yFract="0.49587559"
                           z3="6.41878"
                           zFract="0.28887399"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21493"
                           xFract="0.49939929"
                           y3="2.11585"
                           yFract="0.25069313"
                           z3="4.22035"
                           zFract="0.18993474"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03362"
                           xFract="0.24095024"
                           y3="2.09621"
                           yFract="0.24836611"
                           z3="6.42097"
                           zFract="0.28897255"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3600"
                           xFract="0.7535545"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="4.25221"
                           zFract="0.19136859"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.38935"
                           xFract="0.52006517"
                           y3="6.30972"
                           yFract="0.74759716"
                           z3="8.49913"
                           zFract="0.3824991"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26848"
                           xFract="0.50574408"
                           y3="4.17835"
                           yFract="0.49506517"
                           z3="6.43534"
                           zFract="0.28961926"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17305"
                           xFract="0.25747038"
                           y3="-0.02461"
                           yFract="-0.00291588"
                           z3="8.45611"
                           zFract="0.38056301"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32547"
                           xFract="0.74946327"
                           y3="0.32549"
                           yFract="0.03856517"
                           z3="8.48433"
                           zFract="0.38183303"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27302"
                           xFract="0.98021564"
                           y3="2.04281"
                           yFract="0.2420391"
                           z3="6.22031"
                           zFract="0.27994194"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1551"
                           xFract="0.2553436"
                           y3="8.43428"
                           yFract="0.99932227"
                           z3="6.31381"
                           zFract="0.28414986"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0024"
                           xFract="-0.00028436"
                           y3="-0.00172"
                           yFract="-0.00020379"
                           z3="4.25933"
                           zFract="0.19168902"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36172"
                           xFract="0.99072512"
                           y3="0.15999"
                           yFract="0.01895616"
                           z3="8.41257"
                           zFract="0.37860351"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11147"
                           xFract="0.25017417"
                           y3="2.11385"
                           yFract="0.25045616"
                           z3="4.28766"
                           zFract="0.192964"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00819"
                           xFract="0.2379372"
                           y3="1.99922"
                           yFract="0.23687441"
                           z3="8.53357"
                           zFract="0.38404905"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40307"
                           xFract="0.52169076"
                           y3="2.10655"
                           yFract="0.24959123"
                           z3="6.28927"
                           zFract="0.28304545"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33271"
                           xFract="0.75032109"
                           y3="8.3497"
                           yFract="0.98930095"
                           z3="6.32034"
                           zFract="0.28444374"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21111"
                           xFract="0.49894668"
                           y3="8.31101"
                           yFract="0.98471682"
                           z3="4.21207"
                           zFract="0.18956211"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34676"
                           xFract="0.51501896"
                           y3="-0.02282"
                           yFract="-0.00270379"
                           z3="8.48044"
                           zFract="0.38165797"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3009"
                           xFract="0.74655213"
                           y3="2.07265"
                           yFract="0.24557464"
                           z3="4.04593"
                           zFract="0.18208506"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.73926"
                           xFract="0.79849052"
                           y3="2.23903"
                           yFract="0.26528791"
                           z3="9.08829"
                           zFract="0.40901395"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41319"
                           xFract="0.99682346"
                           y3="6.47844"
                           yFract="0.76758768"
                           z3="6.40254"
                           zFract="0.28814311"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94652"
                           xFract="0.23063033"
                           y3="4.2391"
                           yFract="0.50226303"
                           z3="6.45428"
                           zFract="0.29047165"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02141"
                           xFract="0.00253673"
                           y3="4.20145"
                           yFract="0.49780213"
                           z3="4.12318"
                           zFract="0.18556166"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.40095"
                           xFract="0.04750592"
                           y3="3.91857"
                           yFract="0.46428555"
                           z3="9.45372"
                           zFract="0.42545995"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20338"
                           xFract="0.26106398"
                           y3="6.32311"
                           yFract="0.74918365"
                           z3="4.29473"
                           zFract="0.19328218"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01198"
                           xFract="0.23838626"
                           y3="6.38797"
                           yFract="0.75686848"
                           z3="8.48908"
                           zFract="0.3820468"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22875"
                           xFract="0.50103673"
                           y3="6.33975"
                           yFract="0.75115521"
                           z3="6.29129"
                           zFract="0.28313636"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42886"
                           xFract="0.76171327"
                           y3="4.2966"
                           yFract="0.50907583"
                           z3="6.32101"
                           zFract="0.2844739"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19035"
                           xFract="0.49648697"
                           y3="4.36833"
                           yFract="0.51757464"
                           z3="4.29902"
                           zFract="0.19347525"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14254"
                           xFract="0.49082227"
                           y3="4.24467"
                           yFract="0.50292299"
                           z3="8.52018"
                           zFract="0.38344644"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19097"
                           xFract="0.73352725"
                           y3="6.36325"
                           yFract="0.75393957"
                           z3="4.22956"
                           zFract="0.19034923"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.47027"
                           xFract="0.76661967"
                           y3="6.11612"
                           yFract="0.72465877"
                           z3="8.45942"
                           zFract="0.38071197"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.153">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.17655"
                           xFract="0.02091825"
                           y3="4.02187"
                           yFract="0.47652488"
                           z3="10.39186"
                           zFract="0.46768047"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03905"
                           xFract="-0.00462678"
                           y3="6.4457"
                           yFract="0.76370853"
                           z3="8.48364"
                           zFract="0.38180198"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33509"
                           xFract="0.75060308"
                           y3="0.01002"
                           yFract="0.0011872"
                           z3="4.24946"
                           zFract="0.19124482"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14192"
                           xFract="0.01681517"
                           y3="2.04464"
                           yFract="0.24225592"
                           z3="8.92563"
                           zFract="0.40169352"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35638"
                           xFract="0.75312559"
                           y3="6.32243"
                           yFract="0.74910308"
                           z3="6.37911"
                           zFract="0.28708866"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20118"
                           xFract="0.49777014"
                           y3="6.33852"
                           yFract="0.75100948"
                           z3="4.23419"
                           zFract="0.19055761"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41941"
                           xFract="0.99756043"
                           y3="0.06711"
                           yFract="0.00795142"
                           z3="6.37188"
                           zFract="0.28676328"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41662"
                           xFract="0.99722986"
                           y3="2.10641"
                           yFract="0.24957464"
                           z3="4.20036"
                           zFract="0.1890351"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1445"
                           xFract="0.25408768"
                           y3="4.22716"
                           yFract="0.50084834"
                           z3="8.51879"
                           zFract="0.38338389"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08973"
                           xFract="0.24759834"
                           y3="4.20986"
                           yFract="0.49879858"
                           z3="4.26771"
                           zFract="0.19206616"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06969"
                           xFract="0.24522393"
                           y3="6.34384"
                           yFract="0.75163981"
                           z3="6.38962"
                           zFract="0.28756166"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09497"
                           xFract="0.24821919"
                           y3="0.00617"
                           yFract="0.00073104"
                           z3="4.22678"
                           zFract="0.19022412"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25343"
                           xFract="0.5039609"
                           y3="0.03101"
                           yFract="0.00367417"
                           z3="6.32759"
                           zFract="0.28477003"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35488"
                           xFract="0.75294787"
                           y3="2.12643"
                           yFract="0.25194668"
                           z3="6.37854"
                           zFract="0.28706301"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.46963"
                           xFract="0.76654384"
                           y3="4.10613"
                           yFract="0.48650829"
                           z3="8.63644"
                           zFract="0.38867867"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23496"
                           xFract="0.50177251"
                           y3="2.16432"
                           yFract="0.25643602"
                           z3="8.56867"
                           zFract="0.38562871"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42496"
                           xFract="0.99821801"
                           y3="6.31193"
                           yFract="0.747859"
                           z3="4.26567"
                           zFract="0.19197435"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39854"
                           xFract="0.99508768"
                           y3="4.18463"
                           yFract="0.49580924"
                           z3="6.41939"
                           zFract="0.28890144"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21505"
                           xFract="0.49941351"
                           y3="2.11604"
                           yFract="0.25071564"
                           z3="4.22082"
                           zFract="0.1899559"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03333"
                           xFract="0.24091588"
                           y3="2.09647"
                           yFract="0.24839692"
                           z3="6.42127"
                           zFract="0.28898605"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36031"
                           xFract="0.75359123"
                           y3="4.21116"
                           yFract="0.49895261"
                           z3="4.25206"
                           zFract="0.19136184"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.39197"
                           xFract="0.52037559"
                           y3="6.30956"
                           yFract="0.7475782"
                           z3="8.49982"
                           zFract="0.38253015"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26859"
                           xFract="0.50575711"
                           y3="4.17859"
                           yFract="0.4950936"
                           z3="6.43567"
                           zFract="0.28963411"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17357"
                           xFract="0.25753199"
                           y3="-0.02541"
                           yFract="-0.00301066"
                           z3="8.45545"
                           zFract="0.3805333"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32528"
                           xFract="0.74944076"
                           y3="0.32938"
                           yFract="0.03902607"
                           z3="8.48416"
                           zFract="0.38182538"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27319"
                           xFract="0.98023578"
                           y3="2.04245"
                           yFract="0.24199645"
                           z3="6.21941"
                           zFract="0.27990144"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15544"
                           xFract="0.25538389"
                           y3="8.43394"
                           yFract="0.99928199"
                           z3="6.31326"
                           zFract="0.28412511"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00267"
                           xFract="-0.00031635"
                           y3="-0.00103"
                           yFract="-0.00012204"
                           z3="4.25913"
                           zFract="0.19168002"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36103"
                           xFract="0.99064336"
                           y3="0.16086"
                           yFract="0.01905924"
                           z3="8.41237"
                           zFract="0.37859451"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1118"
                           xFract="0.25021327"
                           y3="2.11378"
                           yFract="0.25044787"
                           z3="4.28843"
                           zFract="0.19299865"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.00968"
                           xFract="0.23811374"
                           y3="1.99807"
                           yFract="0.23673815"
                           z3="8.53346"
                           zFract="0.3840441"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40335"
                           xFract="0.52172393"
                           y3="2.10622"
                           yFract="0.24955213"
                           z3="6.2896"
                           zFract="0.28306031"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33258"
                           xFract="0.75030569"
                           y3="8.3490"
                           yFract="0.98921801"
                           z3="6.31951"
                           zFract="0.28440639"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21104"
                           xFract="0.49893839"
                           y3="8.3110"
                           yFract="0.98471564"
                           z3="4.21225"
                           zFract="0.18957021"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34775"
                           xFract="0.51513626"
                           y3="-0.02373"
                           yFract="-0.00281161"
                           z3="8.48016"
                           zFract="0.38164536"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29999"
                           xFract="0.74644431"
                           y3="2.07279"
                           yFract="0.24559123"
                           z3="4.04607"
                           zFract="0.18209136"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.74261"
                           xFract="0.79888744"
                           y3="2.23973"
                           yFract="0.26537085"
                           z3="9.09184"
                           zFract="0.40917372"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41298"
                           xFract="0.99679858"
                           y3="6.47888"
                           yFract="0.76763981"
                           z3="6.40234"
                           zFract="0.28813411"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94677"
                           xFract="0.23065995"
                           y3="4.23905"
                           yFract="0.50225711"
                           z3="6.4547"
                           zFract="0.29049055"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02124"
                           xFract="0.00251659"
                           y3="4.20117"
                           yFract="0.49776896"
                           z3="4.12329"
                           zFract="0.18556661"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.40489"
                           xFract="0.04797275"
                           y3="3.91647"
                           yFract="0.46403673"
                           z3="9.45692"
                           zFract="0.42560396"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20292"
                           xFract="0.26100948"
                           y3="6.32296"
                           yFract="0.74916588"
                           z3="4.29471"
                           zFract="0.19328128"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.01126"
                           xFract="0.23830095"
                           y3="6.38826"
                           yFract="0.75690284"
                           z3="8.48872"
                           zFract="0.3820306"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22901"
                           xFract="0.50106754"
                           y3="6.33968"
                           yFract="0.75114692"
                           z3="6.29037"
                           zFract="0.28309496"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42867"
                           xFract="0.76169076"
                           y3="4.29647"
                           yFract="0.50906043"
                           z3="6.32069"
                           zFract="0.2844595"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19061"
                           xFract="0.49651777"
                           y3="4.36821"
                           yFract="0.51756043"
                           z3="4.29914"
                           zFract="0.19348065"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14219"
                           xFract="0.49078081"
                           y3="4.24605"
                           yFract="0.50308649"
                           z3="8.52005"
                           zFract="0.38344059"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19168"
                           xFract="0.73361137"
                           y3="6.36312"
                           yFract="0.75392417"
                           z3="4.22932"
                           zFract="0.19033843"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4718"
                           xFract="0.76680095"
                           y3="6.11394"
                           yFract="0.72440047"
                           z3="8.45866"
                           zFract="0.38067777"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.154">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.18031"
                           xFract="0.02136374"
                           y3="4.01799"
                           yFract="0.47606517"
                           z3="10.39969"
                           zFract="0.46803285"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.03992"
                           xFract="-0.00472986"
                           y3="6.44826"
                           yFract="0.76401185"
                           z3="8.48288"
                           zFract="0.38176778"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33482"
                           xFract="0.75057109"
                           y3="0.01009"
                           yFract="0.0011955"
                           z3="4.24912"
                           zFract="0.19122952"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14342"
                           xFract="0.01699289"
                           y3="2.04314"
                           yFract="0.2420782"
                           z3="8.92987"
                           zFract="0.40188434"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35647"
                           xFract="0.75313626"
                           y3="6.32192"
                           yFract="0.74904265"
                           z3="6.37786"
                           zFract="0.2870324"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20079"
                           xFract="0.49772393"
                           y3="6.33834"
                           yFract="0.75098815"
                           z3="4.23332"
                           zFract="0.19051845"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4186"
                           xFract="0.99746445"
                           y3="0.06759"
                           yFract="0.00800829"
                           z3="6.37217"
                           zFract="0.28677633"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4164"
                           xFract="0.99720379"
                           y3="2.10657"
                           yFract="0.2495936"
                           z3="4.20065"
                           zFract="0.18904815"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14525"
                           xFract="0.25417654"
                           y3="4.23203"
                           yFract="0.50142536"
                           z3="8.52025"
                           zFract="0.38344959"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08982"
                           xFract="0.247609"
                           y3="4.21018"
                           yFract="0.49883649"
                           z3="4.26791"
                           zFract="0.19207516"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0696"
                           xFract="0.24521327"
                           y3="6.34393"
                           yFract="0.75165047"
                           z3="6.38967"
                           zFract="0.28756391"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09506"
                           xFract="0.24822986"
                           y3="0.0058"
                           yFract="0.0006872"
                           z3="4.22629"
                           zFract="0.19020207"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25332"
                           xFract="0.50394787"
                           y3="0.02995"
                           yFract="0.00354858"
                           z3="6.32754"
                           zFract="0.28476778"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35545"
                           xFract="0.7530154"
                           y3="2.12598"
                           yFract="0.25189336"
                           z3="6.37908"
                           zFract="0.28708731"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.47789"
                           xFract="0.76752251"
                           y3="4.10364"
                           yFract="0.48621327"
                           z3="8.63526"
                           zFract="0.38862556"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23142"
                           xFract="0.50135308"
                           y3="2.16557"
                           yFract="0.25658412"
                           z3="8.56598"
                           zFract="0.38550765"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42505"
                           xFract="0.99822867"
                           y3="6.31141"
                           yFract="0.74779739"
                           z3="4.26558"
                           zFract="0.1919703"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39868"
                           xFract="0.99510427"
                           y3="4.18349"
                           yFract="0.49567417"
                           z3="6.42063"
                           zFract="0.28895725"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2153"
                           xFract="0.49944313"
                           y3="2.11644"
                           yFract="0.25076303"
                           z3="4.22177"
                           zFract="0.18999865"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03277"
                           xFract="0.24084953"
                           y3="2.09699"
                           yFract="0.24845853"
                           z3="6.42186"
                           zFract="0.2890126"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36092"
                           xFract="0.75366351"
                           y3="4.21113"
                           yFract="0.49894905"
                           z3="4.25175"
                           zFract="0.19134788"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.3972"
                           xFract="0.52099526"
                           y3="6.30923"
                           yFract="0.7475391"
                           z3="8.50121"
                           zFract="0.38259271"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26881"
                           xFract="0.50578318"
                           y3="4.17906"
                           yFract="0.49514929"
                           z3="6.43633"
                           zFract="0.28966382"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17463"
                           xFract="0.25765758"
                           y3="-0.0270"
                           yFract="-0.00319905"
                           z3="8.45413"
                           zFract="0.3804739"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3249"
                           xFract="0.74939573"
                           y3="0.33715"
                           yFract="0.03994668"
                           z3="8.48381"
                           zFract="0.38180963"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27353"
                           xFract="0.98027607"
                           y3="2.04172"
                           yFract="0.24190995"
                           z3="6.21759"
                           zFract="0.27981953"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15611"
                           xFract="0.25546327"
                           y3="8.43328"
                           yFract="0.99920379"
                           z3="6.31215"
                           zFract="0.28407516"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00322"
                           xFract="-0.00038152"
                           y3="0.00034"
                           yFract="0.00004028"
                           z3="4.25875"
                           zFract="0.19166292"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.35966"
                           xFract="0.99048104"
                           y3="0.16261"
                           yFract="0.01926659"
                           z3="8.41198"
                           zFract="0.37857696"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11245"
                           xFract="0.25029028"
                           y3="2.11363"
                           yFract="0.25043009"
                           z3="4.28997"
                           zFract="0.19306796"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01266"
                           xFract="0.23846682"
                           y3="1.99578"
                           yFract="0.23646682"
                           z3="8.53322"
                           zFract="0.3840333"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40391"
                           xFract="0.52179028"
                           y3="2.10554"
                           yFract="0.24947156"
                           z3="6.29027"
                           zFract="0.28309046"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33232"
                           xFract="0.75027488"
                           y3="8.34759"
                           yFract="0.98905095"
                           z3="6.31785"
                           zFract="0.28433168"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21089"
                           xFract="0.49892062"
                           y3="8.31099"
                           yFract="0.98471445"
                           z3="4.21259"
                           zFract="0.18958551"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34974"
                           xFract="0.51537204"
                           y3="-0.02554"
                           yFract="-0.00302607"
                           z3="8.47959"
                           zFract="0.38161971"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29817"
                           xFract="0.74622867"
                           y3="2.07308"
                           yFract="0.24562559"
                           z3="4.04636"
                           zFract="0.18210441"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.74931"
                           xFract="0.79968128"
                           y3="2.24112"
                           yFract="0.26553555"
                           z3="9.09895"
                           zFract="0.4094937"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41255"
                           xFract="0.99674763"
                           y3="6.47975"
                           yFract="0.76774289"
                           z3="6.40194"
                           zFract="0.28811611"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94727"
                           xFract="0.23071919"
                           y3="4.23896"
                           yFract="0.50224645"
                           z3="6.45554"
                           zFract="0.29052835"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0209"
                           xFract="0.0024763"
                           y3="4.20062"
                           yFract="0.49770379"
                           z3="4.1235"
                           zFract="0.18557606"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.41275"
                           xFract="0.04890403"
                           y3="3.91227"
                           yFract="0.4635391"
                           z3="9.46331"
                           zFract="0.42589154"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2020"
                           xFract="0.26090047"
                           y3="6.32267"
                           yFract="0.74913152"
                           z3="4.29466"
                           zFract="0.19327903"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.00982"
                           xFract="0.23813033"
                           y3="6.38883"
                           yFract="0.75697038"
                           z3="8.4880"
                           zFract="0.3819982"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.22954"
                           xFract="0.50113033"
                           y3="6.33953"
                           yFract="0.75112915"
                           z3="6.28853"
                           zFract="0.28301215"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42827"
                           xFract="0.76164336"
                           y3="4.29622"
                           yFract="0.50903081"
                           z3="6.32004"
                           zFract="0.28443024"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19114"
                           xFract="0.49658057"
                           y3="4.36798"
                           yFract="0.51753318"
                           z3="4.29938"
                           zFract="0.19349145"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14151"
                           xFract="0.49070024"
                           y3="4.24882"
                           yFract="0.50341469"
                           z3="8.51977"
                           zFract="0.38342799"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19309"
                           xFract="0.73377844"
                           y3="6.36285"
                           yFract="0.75389218"
                           z3="4.22884"
                           zFract="0.19031683"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.47485"
                           xFract="0.76716232"
                           y3="6.10959"
                           yFract="0.72388507"
                           z3="8.45713"
                           zFract="0.38060891"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.155">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.18785"
                           xFract="0.02225711"
                           y3="4.01023"
                           yFract="0.47514573"
                           z3="10.41537"
                           zFract="0.46873852"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04166"
                           xFract="-0.00493602"
                           y3="6.45338"
                           yFract="0.76461848"
                           z3="8.48137"
                           zFract="0.38169982"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33428"
                           xFract="0.75050711"
                           y3="0.01021"
                           yFract="0.00120972"
                           z3="4.24845"
                           zFract="0.19119937"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14642"
                           xFract="0.01734834"
                           y3="2.04012"
                           yFract="0.24172038"
                           z3="8.93836"
                           zFract="0.40226643"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35664"
                           xFract="0.7531564"
                           y3="6.32091"
                           yFract="0.74892299"
                           z3="6.37538"
                           zFract="0.28692079"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20002"
                           xFract="0.4976327"
                           y3="6.33797"
                           yFract="0.75094431"
                           z3="4.23158"
                           zFract="0.19044014"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41697"
                           xFract="0.99727133"
                           y3="0.06855"
                           yFract="0.00812204"
                           z3="6.37276"
                           zFract="0.28680288"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41596"
                           xFract="0.99715166"
                           y3="2.1069"
                           yFract="0.2496327"
                           z3="4.20124"
                           zFract="0.18907471"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14676"
                           xFract="0.25435545"
                           y3="4.24177"
                           yFract="0.50257938"
                           z3="8.52317"
                           zFract="0.38358101"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08999"
                           xFract="0.24762915"
                           y3="4.21082"
                           yFract="0.49891232"
                           z3="4.2683"
                           zFract="0.19209271"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06942"
                           xFract="0.24519194"
                           y3="6.3441"
                           yFract="0.75167062"
                           z3="6.38976"
                           zFract="0.28756796"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09524"
                           xFract="0.24825118"
                           y3="0.00504"
                           yFract="0.00059716"
                           z3="4.2253"
                           zFract="0.19015752"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2531"
                           xFract="0.5039218"
                           y3="0.02782"
                           yFract="0.00329621"
                           z3="6.32744"
                           zFract="0.28476328"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35658"
                           xFract="0.75314929"
                           y3="2.12508"
                           yFract="0.25178673"
                           z3="6.38014"
                           zFract="0.28713501"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.4944"
                           xFract="0.76947867"
                           y3="4.09865"
                           yFract="0.48562204"
                           z3="8.6329"
                           zFract="0.38851935"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.22433"
                           xFract="0.50051303"
                           y3="2.16806"
                           yFract="0.25687915"
                           z3="8.56061"
                           zFract="0.38526598"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42522"
                           xFract="0.99824882"
                           y3="6.31039"
                           yFract="0.74767654"
                           z3="4.26539"
                           zFract="0.19196175"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39895"
                           xFract="0.99513626"
                           y3="4.18121"
                           yFract="0.49540403"
                           z3="6.42311"
                           zFract="0.28906886"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2158"
                           xFract="0.49950237"
                           y3="2.11722"
                           yFract="0.25085545"
                           z3="4.22367"
                           zFract="0.19008416"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03165"
                           xFract="0.24071682"
                           y3="2.09803"
                           yFract="0.24858175"
                           z3="6.42303"
                           zFract="0.28906526"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36214"
                           xFract="0.75380806"
                           y3="4.21107"
                           yFract="0.49894194"
                           z3="4.25114"
                           zFract="0.19132043"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.40765"
                           xFract="0.52223341"
                           y3="6.30857"
                           yFract="0.7474609"
                           z3="8.5040"
                           zFract="0.38271827"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26926"
                           xFract="0.50583649"
                           y3="4.18002"
                           yFract="0.49526303"
                           z3="6.43764"
                           zFract="0.28972277"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17675"
                           xFract="0.25790877"
                           y3="-0.03017"
                           yFract="-0.00357464"
                           z3="8.4515"
                           zFract="0.38035554"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32414"
                           xFract="0.74930569"
                           y3="0.35268"
                           yFract="0.04178673"
                           z3="8.48312"
                           zFract="0.38177858"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2742"
                           xFract="0.98035545"
                           y3="2.04027"
                           yFract="0.24173815"
                           z3="6.21396"
                           zFract="0.27965617"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15746"
                           xFract="0.25562322"
                           y3="8.43194"
                           yFract="0.99904502"
                           z3="6.30994"
                           zFract="0.2839757"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00432"
                           xFract="-0.00051185"
                           y3="0.00309"
                           yFract="0.00036611"
                           z3="4.25797"
                           zFract="0.19162781"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.35693"
                           xFract="0.99015758"
                           y3="0.16611"
                           yFract="0.01968128"
                           z3="8.41121"
                           zFract="0.3785423"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11376"
                           xFract="0.2504455"
                           y3="2.11332"
                           yFract="0.25039336"
                           z3="4.29304"
                           zFract="0.19320612"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01863"
                           xFract="0.23917417"
                           y3="1.9912"
                           yFract="0.23592417"
                           z3="8.53274"
                           zFract="0.3840117"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40503"
                           xFract="0.52192299"
                           y3="2.1042"
                           yFract="0.2493128"
                           z3="6.29161"
                           zFract="0.28315077"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33179"
                           xFract="0.75021209"
                           y3="8.34476"
                           yFract="0.98871564"
                           z3="6.31454"
                           zFract="0.28418272"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2106"
                           xFract="0.49888626"
                           y3="8.31096"
                           yFract="0.9847109"
                           z3="4.21327"
                           zFract="0.18961611"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.35371"
                           xFract="0.51584242"
                           y3="-0.02917"
                           yFract="-0.00345616"
                           z3="8.47845"
                           zFract="0.38156841"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29454"
                           xFract="0.74579858"
                           y3="2.07365"
                           yFract="0.24569313"
                           z3="4.04693"
                           zFract="0.18213006"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.7627"
                           xFract="0.80126777"
                           y3="2.24391"
                           yFract="0.26586611"
                           z3="9.11315"
                           zFract="0.41013276"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41169"
                           xFract="0.99664573"
                           y3="6.4815"
                           yFract="0.76795024"
                           z3="6.40114"
                           zFract="0.28808011"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94828"
                           xFract="0.23083886"
                           y3="4.23878"
                           yFract="0.50222512"
                           z3="6.45722"
                           zFract="0.29060396"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02021"
                           xFract="0.00239455"
                           y3="4.1995"
                           yFract="0.49757109"
                           z3="4.12392"
                           zFract="0.18559496"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.42849"
                           xFract="0.05076896"
                           y3="3.90388"
                           yFract="0.46254502"
                           z3="9.47609"
                           zFract="0.4264667"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20016"
                           xFract="0.26068246"
                           y3="6.32208"
                           yFract="0.74906161"
                           z3="4.29457"
                           zFract="0.19327498"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.00693"
                           xFract="0.23778791"
                           y3="6.38997"
                           yFract="0.75710545"
                           z3="8.48656"
                           zFract="0.38193339"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2306"
                           xFract="0.50125592"
                           y3="6.33924"
                           yFract="0.75109479"
                           z3="6.28485"
                           zFract="0.28284653"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42748"
                           xFract="0.76154976"
                           y3="4.29572"
                           yFract="0.50897156"
                           z3="6.31874"
                           zFract="0.28437174"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1922"
                           xFract="0.49670616"
                           y3="4.36752"
                           yFract="0.51747867"
                           z3="4.29987"
                           zFract="0.1935135"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14013"
                           xFract="0.49053673"
                           y3="4.25437"
                           yFract="0.50407227"
                           z3="8.51922"
                           zFract="0.38340324"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19592"
                           xFract="0.73411374"
                           y3="6.36232"
                           yFract="0.75382938"
                           z3="4.22789"
                           zFract="0.19027408"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.48095"
                           xFract="0.76788507"
                           y3="6.10088"
                           yFract="0.72285308"
                           z3="8.45406"
                           zFract="0.38047075"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.156">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.18561"
                           xFract="0.02199171"
                           y3="4.01253"
                           yFract="0.47541825"
                           z3="10.41072"
                           zFract="0.46852925"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04115"
                           xFract="-0.00487559"
                           y3="6.45186"
                           yFract="0.76443839"
                           z3="8.48182"
                           zFract="0.38172007"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33444"
                           xFract="0.75052607"
                           y3="0.01018"
                           yFract="0.00120616"
                           z3="4.24865"
                           zFract="0.19120837"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14553"
                           xFract="0.01724289"
                           y3="2.04102"
                           yFract="0.24182701"
                           z3="8.93584"
                           zFract="0.40215302"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35659"
                           xFract="0.75315047"
                           y3="6.32121"
                           yFract="0.74895853"
                           z3="6.37612"
                           zFract="0.2869541"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20025"
                           xFract="0.49765995"
                           y3="6.33808"
                           yFract="0.75095735"
                           z3="4.23209"
                           zFract="0.1904631"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41745"
                           xFract="0.9973282"
                           y3="0.06827"
                           yFract="0.00808886"
                           z3="6.37258"
                           zFract="0.28679478"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41609"
                           xFract="0.99716706"
                           y3="2.1068"
                           yFract="0.24962085"
                           z3="4.20106"
                           zFract="0.18906661"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14632"
                           xFract="0.25430332"
                           y3="4.23888"
                           yFract="0.50223697"
                           z3="8.5223"
                           zFract="0.38354185"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08994"
                           xFract="0.24762322"
                           y3="4.21063"
                           yFract="0.49888981"
                           z3="4.26819"
                           zFract="0.19208776"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06948"
                           xFract="0.24519905"
                           y3="6.34405"
                           yFract="0.75166469"
                           z3="6.38973"
                           zFract="0.28756661"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09518"
                           xFract="0.24824408"
                           y3="0.00527"
                           yFract="0.00062441"
                           z3="4.22559"
                           zFract="0.19017057"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25316"
                           xFract="0.50392891"
                           y3="0.02845"
                           yFract="0.00337085"
                           z3="6.32747"
                           zFract="0.28476463"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35625"
                           xFract="0.75311019"
                           y3="2.12535"
                           yFract="0.25181872"
                           z3="6.37982"
                           zFract="0.28712061"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.4895"
                           xFract="0.7688981"
                           y3="4.10013"
                           yFract="0.48579739"
                           z3="8.6336"
                           zFract="0.38855086"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.22644"
                           xFract="0.50076303"
                           y3="2.16732"
                           yFract="0.25679147"
                           z3="8.5622"
                           zFract="0.38533753"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42517"
                           xFract="0.99824289"
                           y3="6.31069"
                           yFract="0.74771209"
                           z3="4.26545"
                           zFract="0.19196445"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39887"
                           xFract="0.99512678"
                           y3="4.18189"
                           yFract="0.4954846"
                           z3="6.42237"
                           zFract="0.28903555"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21566"
                           xFract="0.49948578"
                           y3="2.11698"
                           yFract="0.25082701"
                           z3="4.22311"
                           zFract="0.19005896"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03199"
                           xFract="0.24075711"
                           y3="2.09772"
                           yFract="0.24854502"
                           z3="6.42268"
                           zFract="0.2890495"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36178"
                           xFract="0.7537654"
                           y3="4.21109"
                           yFract="0.49894431"
                           z3="4.25132"
                           zFract="0.19132853"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.40455"
                           xFract="0.52186611"
                           y3="6.30877"
                           yFract="0.7474846"
                           z3="8.50317"
                           zFract="0.38268092"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26913"
                           xFract="0.50582109"
                           y3="4.17973"
                           yFract="0.49522867"
                           z3="6.43725"
                           zFract="0.28970522"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17612"
                           xFract="0.25783412"
                           y3="-0.02923"
                           yFract="-0.00346327"
                           z3="8.45228"
                           zFract="0.38039064"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32436"
                           xFract="0.74933175"
                           y3="0.34807"
                           yFract="0.04124052"
                           z3="8.48332"
                           zFract="0.38178758"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2740"
                           xFract="0.98033175"
                           y3="2.0407"
                           yFract="0.2417891"
                           z3="6.21504"
                           zFract="0.27970477"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15706"
                           xFract="0.25557583"
                           y3="8.43234"
                           yFract="0.99909242"
                           z3="6.31059"
                           zFract="0.28400495"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00399"
                           xFract="-0.00047275"
                           y3="0.00227"
                           yFract="0.00026896"
                           z3="4.2582"
                           zFract="0.19163816"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.35774"
                           xFract="0.99025355"
                           y3="0.16507"
                           yFract="0.01955806"
                           z3="8.41144"
                           zFract="0.37855266"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11337"
                           xFract="0.25039929"
                           y3="2.11341"
                           yFract="0.25040403"
                           z3="4.29213"
                           zFract="0.19316517"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01686"
                           xFract="0.23896445"
                           y3="1.99256"
                           yFract="0.23608531"
                           z3="8.53288"
                           zFract="0.384018"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4047"
                           xFract="0.52188389"
                           y3="2.1046"
                           yFract="0.24936019"
                           z3="6.29121"
                           zFract="0.28313276"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33195"
                           xFract="0.75023104"
                           y3="8.3456"
                           yFract="0.98881517"
                           z3="6.31552"
                           zFract="0.28422682"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21069"
                           xFract="0.49889692"
                           y3="8.31097"
                           yFract="0.98471209"
                           z3="4.21307"
                           zFract="0.18960711"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.35253"
                           xFract="0.51570261"
                           y3="-0.0281"
                           yFract="-0.00332938"
                           z3="8.47878"
                           zFract="0.38158326"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29562"
                           xFract="0.74592654"
                           y3="2.07348"
                           yFract="0.24567299"
                           z3="4.04676"
                           zFract="0.18212241"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.75873"
                           xFract="0.80079739"
                           y3="2.24308"
                           yFract="0.26576777"
                           z3="9.10893"
                           zFract="0.40994284"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41195"
                           xFract="0.99667654"
                           y3="6.48098"
                           yFract="0.76788863"
                           z3="6.40138"
                           zFract="0.28809091"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94798"
                           xFract="0.23080332"
                           y3="4.23884"
                           yFract="0.50223223"
                           z3="6.45673"
                           zFract="0.29058191"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02041"
                           xFract="0.00241825"
                           y3="4.19983"
                           yFract="0.49761019"
                           z3="4.1238"
                           zFract="0.18558956"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.42382"
                           xFract="0.05021564"
                           y3="3.90637"
                           yFract="0.46284005"
                           z3="9.4723"
                           zFract="0.42629613"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20071"
                           xFract="0.26074763"
                           y3="6.32226"
                           yFract="0.74908294"
                           z3="4.29459"
                           zFract="0.19327588"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.00778"
                           xFract="0.23788863"
                           y3="6.38963"
                           yFract="0.75706517"
                           z3="8.48699"
                           zFract="0.38195275"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23029"
                           xFract="0.50121919"
                           y3="6.33933"
                           yFract="0.75110545"
                           z3="6.28594"
                           zFract="0.28289559"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42772"
                           xFract="0.7615782"
                           y3="4.29587"
                           yFract="0.50898934"
                           z3="6.31912"
                           zFract="0.28438884"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19189"
                           xFract="0.49666943"
                           y3="4.36765"
                           yFract="0.51749408"
                           z3="4.29973"
                           zFract="0.1935072"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14054"
                           xFract="0.49058531"
                           y3="4.25272"
                           yFract="0.50387678"
                           z3="8.51938"
                           zFract="0.38341044"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19508"
                           xFract="0.73401422"
                           y3="6.36248"
                           yFract="0.75384834"
                           z3="4.22817"
                           zFract="0.19028668"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.47914"
                           xFract="0.76767062"
                           y3="6.10346"
                           yFract="0.72315877"
                           z3="8.45497"
                           zFract="0.3805117"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.157">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.18777"
                           xFract="0.02224763"
                           y3="4.0105"
                           yFract="0.47517773"
                           z3="10.41417"
                           zFract="0.46868452"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04143"
                           xFract="-0.00490877"
                           y3="6.45309"
                           yFract="0.76458412"
                           z3="8.48135"
                           zFract="0.38169892"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33437"
                           xFract="0.75051777"
                           y3="0.01023"
                           yFract="0.00121209"
                           z3="4.24846"
                           zFract="0.19119982"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.14833"
                           xFract="0.01757464"
                           y3="2.0408"
                           yFract="0.24180095"
                           z3="8.93792"
                           zFract="0.40224662"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35666"
                           xFract="0.75315877"
                           y3="6.32084"
                           yFract="0.74891469"
                           z3="6.37564"
                           zFract="0.28693249"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2008"
                           xFract="0.49772512"
                           y3="6.33773"
                           yFract="0.75091588"
                           z3="4.23203"
                           zFract="0.1904604"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41722"
                           xFract="0.99730095"
                           y3="0.06829"
                           yFract="0.00809123"
                           z3="6.37218"
                           zFract="0.28677678"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41604"
                           xFract="0.99716114"
                           y3="2.10684"
                           yFract="0.24962559"
                           z3="4.20071"
                           zFract="0.18905086"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14648"
                           xFract="0.25432227"
                           y3="4.24115"
                           yFract="0.50250592"
                           z3="8.52306"
                           zFract="0.38357606"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0900"
                           xFract="0.24763033"
                           y3="4.21057"
                           yFract="0.4988827"
                           z3="4.26833"
                           zFract="0.19209406"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06942"
                           xFract="0.24519194"
                           y3="6.34404"
                           yFract="0.75166351"
                           z3="6.38964"
                           zFract="0.28756256"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09504"
                           xFract="0.24822749"
                           y3="0.00528"
                           yFract="0.00062559"
                           z3="4.22553"
                           zFract="0.19016787"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25324"
                           xFract="0.50393839"
                           y3="0.02798"
                           yFract="0.00331517"
                           z3="6.32736"
                           zFract="0.28475968"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35633"
                           xFract="0.75311967"
                           y3="2.1252"
                           yFract="0.25180095"
                           z3="6.37981"
                           zFract="0.28712016"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.49353"
                           xFract="0.76937559"
                           y3="4.09913"
                           yFract="0.48567891"
                           z3="8.63299"
                           zFract="0.3885234"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.22456"
                           xFract="0.50054028"
                           y3="2.16817"
                           yFract="0.25689218"
                           z3="8.56079"
                           zFract="0.38527408"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42514"
                           xFract="0.99823934"
                           y3="6.31066"
                           yFract="0.74770853"
                           z3="4.26546"
                           zFract="0.1919649"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39892"
                           xFract="0.9951327"
                           y3="4.1814"
                           yFract="0.49542654"
                           z3="6.42305"
                           zFract="0.28906616"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2156"
                           xFract="0.49947867"
                           y3="2.11711"
                           yFract="0.25084242"
                           z3="4.22344"
                           zFract="0.19007381"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03179"
                           xFract="0.24073341"
                           y3="2.09778"
                           yFract="0.24855213"
                           z3="6.42299"
                           zFract="0.28906346"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36189"
                           xFract="0.75377844"
                           y3="4.21109"
                           yFract="0.49894431"
                           z3="4.25118"
                           zFract="0.19132223"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.40747"
                           xFract="0.52221209"
                           y3="6.30856"
                           yFract="0.74745972"
                           z3="8.50366"
                           zFract="0.38270297"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26927"
                           xFract="0.50583768"
                           y3="4.17992"
                           yFract="0.49525118"
                           z3="6.43765"
                           zFract="0.28972322"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17672"
                           xFract="0.25790521"
                           y3="-0.02993"
                           yFract="-0.00354621"
                           z3="8.45171"
                           zFract="0.38036499"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32381"
                           xFract="0.74926659"
                           y3="0.35203"
                           yFract="0.04170972"
                           z3="8.48307"
                           zFract="0.38177633"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27391"
                           xFract="0.98032109"
                           y3="2.04041"
                           yFract="0.24175474"
                           z3="6.21499"
                           zFract="0.27970252"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15725"
                           xFract="0.25559834"
                           y3="8.43213"
                           yFract="0.99906754"
                           z3="6.31039"
                           zFract="0.28399595"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00408"
                           xFract="-0.00048341"
                           y3="0.00258"
                           yFract="0.00030569"
                           z3="4.25803"
                           zFract="0.19163051"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3571"
                           xFract="0.99017773"
                           y3="0.1656"
                           yFract="0.01962085"
                           z3="8.41123"
                           zFract="0.3785432"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11378"
                           xFract="0.25044787"
                           y3="2.11355"
                           yFract="0.25042062"
                           z3="4.29268"
                           zFract="0.19318992"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.01796"
                           xFract="0.23909479"
                           y3="1.9912"
                           yFract="0.23592417"
                           z3="8.53266"
                           zFract="0.3840081"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40514"
                           xFract="0.52193602"
                           y3="2.1044"
                           yFract="0.24933649"
                           z3="6.29188"
                           zFract="0.28316292"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3319"
                           xFract="0.75022512"
                           y3="8.34501"
                           yFract="0.98874526"
                           z3="6.31502"
                           zFract="0.28420432"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21059"
                           xFract="0.49888507"
                           y3="8.31086"
                           yFract="0.98469905"
                           z3="4.21286"
                           zFract="0.18959766"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.35359"
                           xFract="0.5158282"
                           y3="-0.0292"
                           yFract="-0.00345972"
                           z3="8.47854"
                           zFract="0.38157246"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2950"
                           xFract="0.74585308"
                           y3="2.07354"
                           yFract="0.24568009"
                           z3="4.04675"
                           zFract="0.18212196"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.76126"
                           xFract="0.80109716"
                           y3="2.24367"
                           yFract="0.26583768"
                           z3="9.11257"
                           zFract="0.41010666"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41186"
                           xFract="0.99666588"
                           y3="6.48152"
                           yFract="0.76795261"
                           z3="6.4011"
                           zFract="0.28807831"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94799"
                           xFract="0.2308045"
                           y3="4.23891"
                           yFract="0.50224052"
                           z3="6.45711"
                           zFract="0.29059901"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02051"
                           xFract="0.00243009"
                           y3="4.19952"
                           yFract="0.49757346"
                           z3="4.12388"
                           zFract="0.18559316"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.4276"
                           xFract="0.05066351"
                           y3="3.90398"
                           yFract="0.46255687"
                           z3="9.4762"
                           zFract="0.42647165"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20017"
                           xFract="0.26068365"
                           y3="6.32209"
                           yFract="0.7490628"
                           z3="4.29452"
                           zFract="0.19327273"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0068"
                           xFract="0.23777251"
                           y3="6.39027"
                           yFract="0.757141"
                           z3="8.48671"
                           zFract="0.38194014"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23043"
                           xFract="0.50123578"
                           y3="6.33926"
                           yFract="0.75109716"
                           z3="6.28503"
                           zFract="0.28285464"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42769"
                           xFract="0.76157464"
                           y3="4.29579"
                           yFract="0.50897986"
                           z3="6.31887"
                           zFract="0.28437759"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19185"
                           xFract="0.49666469"
                           y3="4.36774"
                           yFract="0.51750474"
                           z3="4.29967"
                           zFract="0.1935045"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14032"
                           xFract="0.49055924"
                           y3="4.25395"
                           yFract="0.50402251"
                           z3="8.51928"
                           zFract="0.38340594"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19538"
                           xFract="0.73404976"
                           y3="6.36243"
                           yFract="0.75384242"
                           z3="4.22786"
                           zFract="0.19027273"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.48049"
                           xFract="0.76783057"
                           y3="6.10132"
                           yFract="0.72290521"
                           z3="8.45426"
                           zFract="0.38047975"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.158">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19215"
                           xFract="0.02276659"
                           y3="4.00637"
                           yFract="0.47468839"
                           z3="10.4212"
                           zFract="0.4690009"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0420"
                           xFract="-0.0049763"
                           y3="6.45559"
                           yFract="0.76488033"
                           z3="8.48039"
                           zFract="0.38165572"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33423"
                           xFract="0.75050118"
                           y3="0.01034"
                           yFract="0.00122512"
                           z3="4.24808"
                           zFract="0.19118272"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.15401"
                           xFract="0.01824763"
                           y3="2.04036"
                           yFract="0.24174882"
                           z3="8.94214"
                           zFract="0.40243654"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35679"
                           xFract="0.75317417"
                           y3="6.32009"
                           yFract="0.74882583"
                           z3="6.37467"
                           zFract="0.28688884"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20191"
                           xFract="0.49785664"
                           y3="6.33703"
                           yFract="0.75083294"
                           z3="4.23189"
                           zFract="0.1904541"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41675"
                           xFract="0.99724526"
                           y3="0.06834"
                           yFract="0.00809716"
                           z3="6.37136"
                           zFract="0.28673987"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41592"
                           xFract="0.99714692"
                           y3="2.1069"
                           yFract="0.2496327"
                           z3="4.2000"
                           zFract="0.1890189"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14682"
                           xFract="0.25436256"
                           y3="4.24577"
                           yFract="0.50305332"
                           z3="8.5246"
                           zFract="0.38364536"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09013"
                           xFract="0.24764573"
                           y3="4.21045"
                           yFract="0.49886848"
                           z3="4.26863"
                           zFract="0.19210756"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06931"
                           xFract="0.24517891"
                           y3="6.34401"
                           yFract="0.75165995"
                           z3="6.38946"
                           zFract="0.28755446"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09476"
                           xFract="0.24819431"
                           y3="0.00532"
                           yFract="0.00063033"
                           z3="4.22541"
                           zFract="0.19016247"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25339"
                           xFract="0.50395616"
                           y3="0.02702"
                           yFract="0.00320142"
                           z3="6.32712"
                           zFract="0.28474887"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3565"
                           xFract="0.75313981"
                           y3="2.12489"
                           yFract="0.25176422"
                           z3="6.37979"
                           zFract="0.28711926"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.50172"
                           xFract="0.77034597"
                           y3="4.0971"
                           yFract="0.48543839"
                           z3="8.63174"
                           zFract="0.38846715"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.22075"
                           xFract="0.50008886"
                           y3="2.16989"
                           yFract="0.25709597"
                           z3="8.55791"
                           zFract="0.38514446"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42509"
                           xFract="0.99823341"
                           y3="6.31059"
                           yFract="0.74770024"
                           z3="4.26547"
                           zFract="0.19196535"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39904"
                           xFract="0.99514692"
                           y3="4.1804"
                           yFract="0.49530806"
                           z3="6.42442"
                           zFract="0.28912781"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21549"
                           xFract="0.49946564"
                           y3="2.11737"
                           yFract="0.25087322"
                           z3="4.22411"
                           zFract="0.19010396"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03139"
                           xFract="0.24068602"
                           y3="2.0979"
                           yFract="0.24856635"
                           z3="6.4236"
                           zFract="0.28909091"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36211"
                           xFract="0.7538045"
                           y3="4.2111"
                           yFract="0.4989455"
                           z3="4.2509"
                           zFract="0.19130963"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.41341"
                           xFract="0.52291588"
                           y3="6.30813"
                           yFract="0.74740877"
                           z3="8.50467"
                           zFract="0.38274842"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26955"
                           xFract="0.50587085"
                           y3="4.18031"
                           yFract="0.49529739"
                           z3="6.43847"
                           zFract="0.28976013"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.17794"
                           xFract="0.25804976"
                           y3="-0.03135"
                           yFract="-0.00371445"
                           z3="8.45057"
                           zFract="0.38031368"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32267"
                           xFract="0.74913152"
                           y3="0.36006"
                           yFract="0.04266114"
                           z3="8.48256"
                           zFract="0.38175338"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27371"
                           xFract="0.98029739"
                           y3="2.03982"
                           yFract="0.24168483"
                           z3="6.21488"
                           zFract="0.27969757"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15764"
                           xFract="0.25564455"
                           y3="8.43171"
                           yFract="0.99901777"
                           z3="6.30998"
                           zFract="0.2839775"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00425"
                           xFract="-0.00050355"
                           y3="0.00322"
                           yFract="0.00038152"
                           z3="4.25768"
                           zFract="0.19161476"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3558"
                           xFract="0.9900237"
                           y3="0.16668"
                           yFract="0.01974882"
                           z3="8.4108"
                           zFract="0.37852385"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11462"
                           xFract="0.25054739"
                           y3="2.11382"
                           yFract="0.25045261"
                           z3="4.29379"
                           zFract="0.19323987"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0202"
                           xFract="0.23936019"
                           y3="1.98844"
                           yFract="0.23559716"
                           z3="8.5322"
                           zFract="0.3839874"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40605"
                           xFract="0.52204384"
                           y3="2.10401"
                           yFract="0.24929028"
                           z3="6.29322"
                           zFract="0.28322322"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33181"
                           xFract="0.75021445"
                           y3="8.34383"
                           yFract="0.98860545"
                           z3="6.31399"
                           zFract="0.28415797"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21039"
                           xFract="0.49886137"
                           y3="8.31065"
                           yFract="0.98467417"
                           z3="4.21244"
                           zFract="0.18957876"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.35573"
                           xFract="0.51608175"
                           y3="-0.03144"
                           yFract="-0.00372512"
                           z3="8.47803"
                           zFract="0.3815495"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29374"
                           xFract="0.74570379"
                           y3="2.07367"
                           yFract="0.2456955"
                           z3="4.04674"
                           zFract="0.18212151"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.76642"
                           xFract="0.80170853"
                           y3="2.24487"
                           yFract="0.26597986"
                           z3="9.11995"
                           zFract="0.41043879"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41168"
                           xFract="0.99664455"
                           y3="6.48261"
                           yFract="0.76808175"
                           z3="6.40054"
                           zFract="0.28805311"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94801"
                           xFract="0.23080687"
                           y3="4.23906"
                           yFract="0.50225829"
                           z3="6.45789"
                           zFract="0.29063411"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02071"
                           xFract="0.00245379"
                           y3="4.1989"
                           yFract="0.4975"
                           z3="4.12404"
                           zFract="0.18560036"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.43528"
                           xFract="0.05157346"
                           y3="3.89913"
                           yFract="0.46198223"
                           z3="9.48411"
                           zFract="0.42682763"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19907"
                           xFract="0.26055332"
                           y3="6.32175"
                           yFract="0.74902251"
                           z3="4.29437"
                           zFract="0.19326598"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.00481"
                           xFract="0.23753673"
                           y3="6.39156"
                           yFract="0.75729384"
                           z3="8.48612"
                           zFract="0.38191359"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23072"
                           xFract="0.50127014"
                           y3="6.33913"
                           yFract="0.75108175"
                           z3="6.28319"
                           zFract="0.28277183"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42762"
                           xFract="0.76156635"
                           y3="4.29563"
                           yFract="0.5089609"
                           z3="6.31836"
                           zFract="0.28435464"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19178"
                           xFract="0.4966564"
                           y3="4.36793"
                           yFract="0.51752725"
                           z3="4.29954"
                           zFract="0.19349865"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13987"
                           xFract="0.49050592"
                           y3="4.25643"
                           yFract="0.50431635"
                           z3="8.51908"
                           zFract="0.38339694"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19598"
                           xFract="0.73412085"
                           y3="6.36233"
                           yFract="0.75383057"
                           z3="4.22722"
                           zFract="0.19024392"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.48324"
                           xFract="0.7681564"
                           y3="6.09697"
                           yFract="0.72238981"
                           z3="8.45281"
                           zFract="0.38041449"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.159">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20092"
                           xFract="0.02380569"
                           y3="3.99812"
                           yFract="0.4737109"
                           z3="10.43525"
                           zFract="0.46963321"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04315"
                           xFract="-0.00511256"
                           y3="6.46059"
                           yFract="0.76547275"
                           z3="8.47848"
                           zFract="0.38156976"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33395"
                           xFract="0.75046801"
                           y3="0.01055"
                           yFract="0.00125"
                           z3="4.24733"
                           zFract="0.19114896"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.16537"
                           xFract="0.0195936"
                           y3="2.03947"
                           yFract="0.24164336"
                           z3="8.95059"
                           zFract="0.40281683"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35706"
                           xFract="0.75320616"
                           y3="6.31859"
                           yFract="0.7486481"
                           z3="6.37272"
                           zFract="0.28680108"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20413"
                           xFract="0.49811967"
                           y3="6.33562"
                           yFract="0.75066588"
                           z3="4.23162"
                           zFract="0.19044194"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41581"
                           xFract="0.99713389"
                           y3="0.06845"
                           yFract="0.00811019"
                           z3="6.36971"
                           zFract="0.28666562"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4157"
                           xFract="0.99712085"
                           y3="2.10704"
                           yFract="0.24964929"
                           z3="4.19856"
                           zFract="0.1889541"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14749"
                           xFract="0.25444194"
                           y3="4.2550"
                           yFract="0.50414692"
                           z3="8.52768"
                           zFract="0.38378398"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09037"
                           xFract="0.24767417"
                           y3="4.21021"
                           yFract="0.49884005"
                           z3="4.26924"
                           zFract="0.19213501"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06908"
                           xFract="0.24515166"
                           y3="6.34396"
                           yFract="0.75165403"
                           z3="6.38909"
                           zFract="0.2875378"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09418"
                           xFract="0.24812559"
                           y3="0.00539"
                           yFract="0.00063863"
                           z3="4.22516"
                           zFract="0.19015122"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25369"
                           xFract="0.50399171"
                           y3="0.0251"
                           yFract="0.00297393"
                           z3="6.32666"
                           zFract="0.28472817"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35684"
                           xFract="0.75318009"
                           y3="2.12428"
                           yFract="0.25169194"
                           z3="6.37975"
                           zFract="0.28711746"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.5181"
                           xFract="0.77228673"
                           y3="4.09302"
                           yFract="0.48495498"
                           z3="8.62925"
                           zFract="0.38835509"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21314"
                           xFract="0.4991872"
                           y3="2.17334"
                           yFract="0.25750474"
                           z3="8.55216"
                           zFract="0.38488569"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42497"
                           xFract="0.99821919"
                           y3="6.31045"
                           yFract="0.74768365"
                           z3="4.26551"
                           zFract="0.19196715"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39928"
                           xFract="0.99517536"
                           y3="4.17841"
                           yFract="0.49507227"
                           z3="6.42718"
                           zFract="0.28925203"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21526"
                           xFract="0.49943839"
                           y3="2.11789"
                           yFract="0.25093483"
                           z3="4.22545"
                           zFract="0.19016427"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0306"
                           xFract="0.24059242"
                           y3="2.09813"
                           yFract="0.2485936"
                           z3="6.42483"
                           zFract="0.28914626"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36256"
                           xFract="0.75385782"
                           y3="4.21112"
                           yFract="0.49894787"
                           z3="4.25033"
                           zFract="0.19128398"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.42528"
                           xFract="0.52432227"
                           y3="6.30728"
                           yFract="0.74730806"
                           z3="8.50668"
                           zFract="0.38283888"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27012"
                           xFract="0.50593839"
                           y3="4.18108"
                           yFract="0.49538863"
                           z3="6.44009"
                           zFract="0.28983303"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.18039"
                           xFract="0.25834005"
                           y3="-0.03419"
                           yFract="-0.00405095"
                           z3="8.44827"
                           zFract="0.38021017"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3204"
                           xFract="0.74886256"
                           y3="0.37613"
                           yFract="0.04456517"
                           z3="8.48154"
                           zFract="0.38170747"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27333"
                           xFract="0.98025237"
                           y3="2.03863"
                           yFract="0.24154384"
                           z3="6.21467"
                           zFract="0.27968812"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15841"
                           xFract="0.25573578"
                           y3="8.43086"
                           yFract="0.99891706"
                           z3="6.30915"
                           zFract="0.28394014"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00459"
                           xFract="-0.00054384"
                           y3="0.00448"
                           yFract="0.00053081"
                           z3="4.25698"
                           zFract="0.19158326"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.35321"
                           xFract="0.98971682"
                           y3="0.16883"
                           yFract="0.02000355"
                           z3="8.40994"
                           zFract="0.37848515"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1163"
                           xFract="0.25074645"
                           y3="2.11436"
                           yFract="0.25051659"
                           z3="4.29603"
                           zFract="0.19334068"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.02468"
                           xFract="0.239891"
                           y3="1.98292"
                           yFract="0.23494313"
                           z3="8.53129"
                           zFract="0.38394644"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.40786"
                           xFract="0.52225829"
                           y3="2.10322"
                           yFract="0.24919668"
                           z3="6.29592"
                           zFract="0.28334473"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33163"
                           xFract="0.75019313"
                           y3="8.34145"
                           yFract="0.98832346"
                           z3="6.31194"
                           zFract="0.28406571"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20998"
                           xFract="0.4988128"
                           y3="8.31022"
                           yFract="0.98462322"
                           z3="4.2116"
                           zFract="0.18954095"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.36002"
                           xFract="0.51659005"
                           y3="-0.03591"
                           yFract="-0.00425474"
                           z3="8.47702"
                           zFract="0.38150405"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29122"
                           xFract="0.74540521"
                           y3="2.07392"
                           yFract="0.24572512"
                           z3="4.04672"
                           zFract="0.18212061"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.77672"
                           xFract="0.80292891"
                           y3="2.24726"
                           yFract="0.26626303"
                           z3="9.13472"
                           zFract="0.41110351"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41132"
                           xFract="0.9966019"
                           y3="6.48479"
                           yFract="0.76834005"
                           z3="6.39941"
                           zFract="0.28800225"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94806"
                           xFract="0.2308128"
                           y3="4.23936"
                           yFract="0.50229384"
                           z3="6.45944"
                           zFract="0.29070387"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02112"
                           xFract="0.00250237"
                           y3="4.19765"
                           yFract="0.4973519"
                           z3="4.12437"
                           zFract="0.18561521"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.45063"
                           xFract="0.05339218"
                           y3="3.88942"
                           yFract="0.46083175"
                           z3="9.49994"
                           zFract="0.42754005"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19687"
                           xFract="0.26029265"
                           y3="6.32107"
                           yFract="0.74894194"
                           z3="4.29406"
                           zFract="0.19325203"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.00083"
                           xFract="0.23706517"
                           y3="6.39415"
                           yFract="0.75760071"
                           z3="8.48496"
                           zFract="0.38186139"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2313"
                           xFract="0.50133886"
                           y3="6.33887"
                           yFract="0.75105095"
                           z3="6.27951"
                           zFract="0.28260621"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4275"
                           xFract="0.76155213"
                           y3="4.2953"
                           yFract="0.5089218"
                           z3="6.31734"
                           zFract="0.28430873"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19165"
                           xFract="0.496641"
                           y3="4.36829"
                           yFract="0.51756991"
                           z3="4.2993"
                           zFract="0.19348785"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13898"
                           xFract="0.49040047"
                           y3="4.26141"
                           yFract="0.5049064"
                           z3="8.51868"
                           zFract="0.38337894"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1972"
                           xFract="0.7342654"
                           y3="6.36213"
                           yFract="0.75380687"
                           z3="4.22596"
                           zFract="0.19018722"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.48873"
                           xFract="0.76880687"
                           y3="6.08826"
                           yFract="0.72135782"
                           z3="8.44991"
                           zFract="0.38028398"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.160">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21846"
                           xFract="0.02588389"
                           y3="3.9816"
                           yFract="0.47175355"
                           z3="10.46335"
                           zFract="0.47089784"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04544"
                           xFract="-0.00538389"
                           y3="6.47059"
                           yFract="0.76665758"
                           z3="8.47465"
                           zFract="0.38139739"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33338"
                           xFract="0.75040047"
                           y3="0.01099"
                           yFract="0.00130213"
                           z3="4.24581"
                           zFract="0.19108056"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.1881"
                           xFract="0.02228673"
                           y3="2.03771"
                           yFract="0.24143483"
                           z3="8.96749"
                           zFract="0.40357741"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35761"
                           xFract="0.75327133"
                           y3="6.31559"
                           yFract="0.74829265"
                           z3="6.36883"
                           zFract="0.28662601"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20858"
                           xFract="0.49864692"
                           y3="6.33281"
                           yFract="0.75033294"
                           z3="4.23107"
                           zFract="0.19041719"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41394"
                           xFract="0.99691232"
                           y3="0.06865"
                           yFract="0.00813389"
                           z3="6.36642"
                           zFract="0.28651755"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41525"
                           xFract="0.99706754"
                           y3="2.1073"
                           yFract="0.24968009"
                           z3="4.1957"
                           zFract="0.18882538"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14884"
                           xFract="0.2546019"
                           y3="4.27345"
                           yFract="0.50633294"
                           z3="8.53385"
                           zFract="0.38406166"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09087"
                           xFract="0.24773341"
                           y3="4.20972"
                           yFract="0.49878199"
                           z3="4.27044"
                           zFract="0.19218902"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06863"
                           xFract="0.24509834"
                           y3="6.34385"
                           yFract="0.751641"
                           z3="6.38834"
                           zFract="0.28750405"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09304"
                           xFract="0.24799052"
                           y3="0.00552"
                           yFract="0.00065403"
                           z3="4.22466"
                           zFract="0.19012871"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2543"
                           xFract="0.50406398"
                           y3="0.02125"
                           yFract="0.00251777"
                           z3="6.32573"
                           zFract="0.28468632"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35753"
                           xFract="0.75326185"
                           y3="2.12305"
                           yFract="0.25154621"
                           z3="6.37967"
                           zFract="0.28711386"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.55086"
                           xFract="0.77616825"
                           y3="4.08488"
                           yFract="0.48399052"
                           z3="8.62425"
                           zFract="0.38813006"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1979"
                           xFract="0.49738152"
                           y3="2.18023"
                           yFract="0.25832109"
                           z3="8.54065"
                           zFract="0.38436769"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42474"
                           xFract="0.99819194"
                           y3="6.31017"
                           yFract="0.74765047"
                           z3="4.26557"
                           zFract="0.19196985"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39975"
                           xFract="0.99523104"
                           y3="4.17444"
                           yFract="0.4946019"
                           z3="6.43268"
                           zFract="0.28949955"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21482"
                           xFract="0.49938626"
                           y3="2.11893"
                           yFract="0.25105806"
                           z3="4.22814"
                           zFract="0.19028533"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0290"
                           xFract="0.24040284"
                           y3="2.09859"
                           yFract="0.2486481"
                           z3="6.4273"
                           zFract="0.28925743"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36345"
                           xFract="0.75396327"
                           y3="4.21117"
                           yFract="0.49895379"
                           z3="4.2492"
                           zFract="0.19123312"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.44903"
                           xFract="0.52713626"
                           y3="6.30557"
                           yFract="0.74710545"
                           z3="8.51069"
                           zFract="0.38301935"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27125"
                           xFract="0.50607227"
                           y3="4.18262"
                           yFract="0.49557109"
                           z3="6.44334"
                           zFract="0.2899793"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.18529"
                           xFract="0.25892062"
                           y3="-0.03988"
                           yFract="-0.00472512"
                           z3="8.44369"
                           zFract="0.38000405"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31586"
                           xFract="0.74832464"
                           y3="0.40826"
                           yFract="0.04837204"
                           z3="8.4795"
                           zFract="0.38161566"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27255"
                           xFract="0.98015995"
                           y3="2.03625"
                           yFract="0.24126185"
                           z3="6.21425"
                           zFract="0.27966922"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.15997"
                           xFract="0.25592062"
                           y3="8.42918"
                           yFract="0.99871801"
                           z3="6.3075"
                           zFract="0.28386589"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00527"
                           xFract="-0.00062441"
                           y3="0.0070"
                           yFract="0.00082938"
                           z3="4.25557"
                           zFract="0.1915198"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34802"
                           xFract="0.9891019"
                           y3="0.17314"
                           yFract="0.02051422"
                           z3="8.40822"
                           zFract="0.37840774"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11966"
                           xFract="0.25114455"
                           y3="2.11545"
                           yFract="0.25064573"
                           z3="4.3005"
                           zFract="0.19354185"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.03365"
                           xFract="0.24095379"
                           y3="1.97188"
                           yFract="0.23363507"
                           z3="8.52948"
                           zFract="0.38386499"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41147"
                           xFract="0.52268602"
                           y3="2.10164"
                           yFract="0.24900948"
                           z3="6.3013"
                           zFract="0.28358686"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33126"
                           xFract="0.75014929"
                           y3="8.33669"
                           yFract="0.98775948"
                           z3="6.30783"
                           zFract="0.28388074"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20918"
                           xFract="0.49871801"
                           y3="8.30936"
                           yFract="0.98452133"
                           z3="4.20991"
                           zFract="0.1894649"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3686"
                           xFract="0.51760664"
                           y3="-0.04485"
                           yFract="-0.00531398"
                           z3="8.4750"
                           zFract="0.38141314"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28618"
                           xFract="0.74480806"
                           y3="2.07442"
                           yFract="0.24578436"
                           z3="4.04668"
                           zFract="0.18211881"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.79732"
                           xFract="0.80536967"
                           y3="2.25205"
                           yFract="0.26683057"
                           z3="9.16427"
                           zFract="0.41243339"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41059"
                           xFract="0.9965154"
                           y3="6.48916"
                           yFract="0.76885782"
                           z3="6.39715"
                           zFract="0.28790054"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94816"
                           xFract="0.23082464"
                           y3="4.23996"
                           yFract="0.50236493"
                           z3="6.46256"
                           zFract="0.29084428"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02193"
                           xFract="0.00259834"
                           y3="4.19516"
                           yFract="0.49705687"
                           z3="4.12502"
                           zFract="0.18564446"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.48135"
                           xFract="0.05703199"
                           y3="3.8700"
                           yFract="0.45853081"
                           z3="9.53159"
                           zFract="0.42896445"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19247"
                           xFract="0.25977133"
                           y3="6.31972"
                           yFract="0.74878199"
                           z3="4.29345"
                           zFract="0.19322457"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.99287"
                           xFract="0.23612204"
                           y3="6.39934"
                           yFract="0.75821564"
                           z3="8.48264"
                           zFract="0.38175698"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23247"
                           xFract="0.50147749"
                           y3="6.33835"
                           yFract="0.75098934"
                           z3="6.27214"
                           zFract="0.28227453"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42724"
                           xFract="0.76152133"
                           y3="4.29466"
                           yFract="0.50884597"
                           z3="6.31531"
                           zFract="0.28421737"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19138"
                           xFract="0.496609"
                           y3="4.36902"
                           yFract="0.5176564"
                           z3="4.2988"
                           zFract="0.19346535"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13719"
                           xFract="0.49018839"
                           y3="4.27136"
                           yFract="0.50608531"
                           z3="8.51787"
                           zFract="0.38334248"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19962"
                           xFract="0.73455213"
                           y3="6.36174"
                           yFract="0.75376066"
                           z3="4.22343"
                           zFract="0.19007336"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.49971"
                           xFract="0.77010782"
                           y3="6.07085"
                           yFract="0.71929502"
                           z3="8.44411"
                           zFract="0.38002295"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.161">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.22656"
                           xFract="0.0268436"
                           y3="3.97474"
                           yFract="0.47094076"
                           z3="10.47038"
                           zFract="0.47121422"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04567"
                           xFract="-0.00541114"
                           y3="6.47427"
                           yFract="0.7670936"
                           z3="8.47237"
                           zFract="0.38129478"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33311"
                           xFract="0.75036848"
                           y3="0.01124"
                           yFract="0.00133175"
                           z3="4.24537"
                           zFract="0.19106076"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.19386"
                           xFract="0.02296919"
                           y3="2.03359"
                           yFract="0.24094668"
                           z3="8.97339"
                           zFract="0.40384293"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35832"
                           xFract="0.75335545"
                           y3="6.31452"
                           yFract="0.74816588"
                           z3="6.36848"
                           zFract="0.28661026"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20727"
                           xFract="0.49849171"
                           y3="6.33399"
                           yFract="0.75047275"
                           z3="4.23128"
                           zFract="0.19042664"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41375"
                           xFract="0.99688981"
                           y3="0.06863"
                           yFract="0.00813152"
                           z3="6.3650"
                           zFract="0.28645365"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41531"
                           xFract="0.99707464"
                           y3="2.10738"
                           yFract="0.24968957"
                           z3="4.19465"
                           zFract="0.18877813"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14868"
                           xFract="0.25458294"
                           y3="4.2803"
                           yFract="0.50714455"
                           z3="8.53583"
                           zFract="0.38415077"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09063"
                           xFract="0.24770498"
                           y3="4.20921"
                           yFract="0.49872156"
                           z3="4.27101"
                           zFract="0.19221467"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06862"
                           xFract="0.24509716"
                           y3="6.3435"
                           yFract="0.75159953"
                           z3="6.38696"
                           zFract="0.28744194"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09286"
                           xFract="0.24796919"
                           y3="0.00583"
                           yFract="0.00069076"
                           z3="4.2254"
                           zFract="0.19016202"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25552"
                           xFract="0.50420853"
                           y3="0.02014"
                           yFract="0.00238626"
                           z3="6.32457"
                           zFract="0.28463411"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35767"
                           xFract="0.75327844"
                           y3="2.12305"
                           yFract="0.25154621"
                           z3="6.37797"
                           zFract="0.28703735"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.56264"
                           xFract="0.77756398"
                           y3="4.08205"
                           yFract="0.48365521"
                           z3="8.6236"
                           zFract="0.38810081"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.19268"
                           xFract="0.49676303"
                           y3="2.18433"
                           yFract="0.25880687"
                           z3="8.53644"
                           zFract="0.38417822"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42475"
                           xFract="0.99819313"
                           y3="6.31048"
                           yFract="0.7476872"
                           z3="4.26556"
                           zFract="0.1919694"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39991"
                           xFract="0.99525"
                           y3="4.17341"
                           yFract="0.49447986"
                           z3="6.43506"
                           zFract="0.28960666"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21387"
                           xFract="0.4992737"
                           y3="2.11854"
                           yFract="0.25101185"
                           z3="4.22813"
                           zFract="0.19028488"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02851"
                           xFract="0.24034479"
                           y3="2.09772"
                           yFract="0.24854502"
                           z3="6.4278"
                           zFract="0.28927993"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36339"
                           xFract="0.75395616"
                           y3="4.21081"
                           yFract="0.49891114"
                           z3="4.24902"
                           zFract="0.19122502"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.45895"
                           xFract="0.52831161"
                           y3="6.30474"
                           yFract="0.74700711"
                           z3="8.51101"
                           zFract="0.38303375"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27164"
                           xFract="0.50611848"
                           y3="4.18307"
                           yFract="0.49562441"
                           z3="6.44499"
                           zFract="0.29005356"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.18759"
                           xFract="0.25919313"
                           y3="-0.04203"
                           yFract="-0.00497986"
                           z3="8.44353"
                           zFract="0.37999685"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31438"
                           xFract="0.74814929"
                           y3="0.42129"
                           yFract="0.04991588"
                           z3="8.47909"
                           zFract="0.38159721"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27099"
                           xFract="0.97997512"
                           y3="2.03518"
                           yFract="0.24113507"
                           z3="6.21657"
                           zFract="0.27977363"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16004"
                           xFract="0.25592891"
                           y3="8.42993"
                           yFract="0.99880687"
                           z3="6.3077"
                           zFract="0.28387489"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00437"
                           xFract="-0.00051777"
                           y3="0.00677"
                           yFract="0.00080213"
                           z3="4.25514"
                           zFract="0.19150045"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34735"
                           xFract="0.98902251"
                           y3="0.17358"
                           yFract="0.02056635"
                           z3="8.40675"
                           zFract="0.37834158"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12082"
                           xFract="0.25128199"
                           y3="2.11618"
                           yFract="0.25073223"
                           z3="4.30121"
                           zFract="0.19357381"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.03871"
                           xFract="0.24155332"
                           y3="1.96836"
                           yFract="0.23321801"
                           z3="8.52831"
                           zFract="0.38381233"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41279"
                           xFract="0.52284242"
                           y3="2.10188"
                           yFract="0.24903791"
                           z3="6.30481"
                           zFract="0.28374482"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33168"
                           xFract="0.75019905"
                           y3="8.33574"
                           yFract="0.98764692"
                           z3="6.30779"
                           zFract="0.28387894"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20955"
                           xFract="0.49876185"
                           y3="8.3079"
                           yFract="0.98434834"
                           z3="4.20836"
                           zFract="0.18939514"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.37117"
                           xFract="0.51791114"
                           y3="-0.05024"
                           yFract="-0.00595261"
                           z3="8.47414"
                           zFract="0.38137444"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28596"
                           xFract="0.74478199"
                           y3="2.07417"
                           yFract="0.24575474"
                           z3="4.0463"
                           zFract="0.18210171"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.80592"
                           xFract="0.80638863"
                           y3="2.25542"
                           yFract="0.26722986"
                           z3="9.17411"
                           zFract="0.41287624"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41073"
                           xFract="0.99653199"
                           y3="6.49126"
                           yFract="0.76910664"
                           z3="6.3954"
                           zFract="0.28782178"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94707"
                           xFract="0.2306955"
                           y3="4.24026"
                           yFract="0.50240047"
                           z3="6.46438"
                           zFract="0.29092619"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02286"
                           xFract="0.00270853"
                           y3="4.19404"
                           yFract="0.49692417"
                           z3="4.1251"
                           zFract="0.18564806"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.49323"
                           xFract="0.05843957"
                           y3="3.86322"
                           yFract="0.45772749"
                           z3="9.54804"
                           zFract="0.42970477"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19266"
                           xFract="0.25979384"
                           y3="6.31936"
                           yFract="0.74873934"
                           z3="4.2930"
                           zFract="0.19320432"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.98783"
                           xFract="0.23552488"
                           y3="6.40177"
                           yFract="0.75850355"
                           z3="8.48244"
                           zFract="0.38174797"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23272"
                           xFract="0.50150711"
                           y3="6.33767"
                           yFract="0.75090877"
                           z3="6.27014"
                           zFract="0.28218452"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42782"
                           xFract="0.76159005"
                           y3="4.29482"
                           yFract="0.50886493"
                           z3="6.31424"
                           zFract="0.28416922"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19103"
                           xFract="0.49656754"
                           y3="4.36898"
                           yFract="0.51765166"
                           z3="4.29845"
                           zFract="0.19344959"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13584"
                           xFract="0.49002844"
                           y3="4.27437"
                           yFract="0.50644194"
                           z3="8.51779"
                           zFract="0.38333888"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20008"
                           xFract="0.73460664"
                           y3="6.36169"
                           yFract="0.75375474"
                           z3="4.22236"
                           zFract="0.1900252"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.50389"
                           xFract="0.77060308"
                           y3="6.06516"
                           yFract="0.71862085"
                           z3="8.44219"
                           zFract="0.37993654"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.162">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.22841"
                           xFract="0.0270628"
                           y3="3.97317"
                           yFract="0.47075474"
                           z3="10.47198"
                           zFract="0.47128623"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04573"
                           xFract="-0.00541825"
                           y3="6.47511"
                           yFract="0.76719313"
                           z3="8.47185"
                           zFract="0.38127138"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33305"
                           xFract="0.75036137"
                           y3="0.0113"
                           yFract="0.00133886"
                           z3="4.24527"
                           zFract="0.19105626"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.19517"
                           xFract="0.02312441"
                           y3="2.03266"
                           yFract="0.24083649"
                           z3="8.97473"
                           zFract="0.40390324"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35848"
                           xFract="0.75337441"
                           y3="6.31427"
                           yFract="0.74813626"
                           z3="6.3684"
                           zFract="0.28660666"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20697"
                           xFract="0.49845616"
                           y3="6.33425"
                           yFract="0.75050355"
                           z3="4.23133"
                           zFract="0.19042889"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41371"
                           xFract="0.99688507"
                           y3="0.06863"
                           yFract="0.00813152"
                           z3="6.36468"
                           zFract="0.28643924"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41533"
                           xFract="0.99707701"
                           y3="2.10739"
                           yFract="0.24969076"
                           z3="4.1944"
                           zFract="0.18876688"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14864"
                           xFract="0.2545782"
                           y3="4.28186"
                           yFract="0.50732938"
                           z3="8.53628"
                           zFract="0.38417102"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09057"
                           xFract="0.24769787"
                           y3="4.20909"
                           yFract="0.49870735"
                           z3="4.27114"
                           zFract="0.19222052"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06861"
                           xFract="0.24509597"
                           y3="6.34342"
                           yFract="0.75159005"
                           z3="6.38664"
                           zFract="0.28742754"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09282"
                           xFract="0.24796445"
                           y3="0.0059"
                           yFract="0.00069905"
                           z3="4.22557"
                           zFract="0.19016967"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25579"
                           xFract="0.50424052"
                           y3="0.01988"
                           yFract="0.00235545"
                           z3="6.3243"
                           zFract="0.28462196"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35771"
                           xFract="0.75328318"
                           y3="2.12305"
                           yFract="0.25154621"
                           z3="6.37759"
                           zFract="0.28702025"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.56533"
                           xFract="0.7778827"
                           y3="4.08141"
                           yFract="0.48357938"
                           z3="8.62345"
                           zFract="0.38809406"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.19149"
                           xFract="0.49662204"
                           y3="2.18526"
                           yFract="0.25891706"
                           z3="8.53548"
                           zFract="0.38413501"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42475"
                           xFract="0.99819313"
                           y3="6.31055"
                           yFract="0.7476955"
                           z3="4.26556"
                           zFract="0.1919694"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39994"
                           xFract="0.99525355"
                           y3="4.17318"
                           yFract="0.49445261"
                           z3="6.4356"
                           zFract="0.28963096"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21366"
                           xFract="0.49924882"
                           y3="2.11845"
                           yFract="0.25100118"
                           z3="4.22813"
                           zFract="0.19028488"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02839"
                           xFract="0.24033057"
                           y3="2.09752"
                           yFract="0.24852133"
                           z3="6.42792"
                           zFract="0.28928533"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36338"
                           xFract="0.75395498"
                           y3="4.21073"
                           yFract="0.49890166"
                           z3="4.24898"
                           zFract="0.19122322"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.46121"
                           xFract="0.52857938"
                           y3="6.30455"
                           yFract="0.7469846"
                           z3="8.51108"
                           zFract="0.3830369"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27173"
                           xFract="0.50612915"
                           y3="4.18317"
                           yFract="0.49563626"
                           z3="6.44537"
                           zFract="0.29007066"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.18811"
                           xFract="0.25925474"
                           y3="-0.04252"
                           yFract="-0.00503791"
                           z3="8.44349"
                           zFract="0.37999505"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31404"
                           xFract="0.748109"
                           y3="0.42426"
                           yFract="0.05026777"
                           z3="8.4790"
                           zFract="0.38159316"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27063"
                           xFract="0.97993246"
                           y3="2.03494"
                           yFract="0.24110664"
                           z3="6.2171"
                           zFract="0.27979748"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16005"
                           xFract="0.25593009"
                           y3="8.4301"
                           yFract="0.99882701"
                           z3="6.30774"
                           zFract="0.28387669"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00417"
                           xFract="-0.00049408"
                           y3="0.00672"
                           yFract="0.00079621"
                           z3="4.25504"
                           zFract="0.19149595"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3472"
                           xFract="0.98900474"
                           y3="0.17368"
                           yFract="0.0205782"
                           z3="8.40641"
                           zFract="0.37832628"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12109"
                           xFract="0.25131398"
                           y3="2.11634"
                           yFract="0.25075118"
                           z3="4.30138"
                           zFract="0.19358146"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.03987"
                           xFract="0.24169076"
                           y3="1.96756"
                           yFract="0.23312322"
                           z3="8.52804"
                           zFract="0.38380018"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41309"
                           xFract="0.52287796"
                           y3="2.10193"
                           yFract="0.24904384"
                           z3="6.30561"
                           zFract="0.28378083"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33178"
                           xFract="0.7502109"
                           y3="8.33552"
                           yFract="0.98762085"
                           z3="6.30778"
                           zFract="0.28387849"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20963"
                           xFract="0.49877133"
                           y3="8.30756"
                           yFract="0.98430806"
                           z3="4.2080"
                           zFract="0.18937894"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.37176"
                           xFract="0.51798104"
                           y3="-0.05146"
                           yFract="-0.00609716"
                           z3="8.47394"
                           zFract="0.38136544"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2859"
                           xFract="0.74477488"
                           y3="2.07412"
                           yFract="0.24574882"
                           z3="4.04622"
                           zFract="0.18209811"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.80788"
                           xFract="0.80662085"
                           y3="2.25619"
                           yFract="0.26732109"
                           z3="9.17635"
                           zFract="0.41297705"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41076"
                           xFract="0.99653555"
                           y3="6.49173"
                           yFract="0.76916232"
                           z3="6.3950"
                           zFract="0.28780378"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94682"
                           xFract="0.23066588"
                           y3="4.24033"
                           yFract="0.50240877"
                           z3="6.46479"
                           zFract="0.29094464"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02308"
                           xFract="0.0027346"
                           y3="4.19378"
                           yFract="0.49689336"
                           z3="4.12512"
                           zFract="0.18564896"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.49594"
                           xFract="0.05876066"
                           y3="3.86168"
                           yFract="0.45754502"
                           z3="9.55178"
                           zFract="0.42987309"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19271"
                           xFract="0.25979976"
                           y3="6.31928"
                           yFract="0.74872986"
                           z3="4.2929"
                           zFract="0.19319982"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.98668"
                           xFract="0.23538863"
                           y3="6.40233"
                           yFract="0.75856991"
                           z3="8.4824"
                           zFract="0.38174617"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23277"
                           xFract="0.50151303"
                           y3="6.33751"
                           yFract="0.75088981"
                           z3="6.26969"
                           zFract="0.28216427"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42795"
                           xFract="0.76160545"
                           y3="4.29486"
                           yFract="0.50886967"
                           z3="6.31399"
                           zFract="0.28415797"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19095"
                           xFract="0.49655806"
                           y3="4.36897"
                           yFract="0.51765047"
                           z3="4.29837"
                           zFract="0.19344599"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13553"
                           xFract="0.48999171"
                           y3="4.27506"
                           yFract="0.5065237"
                           z3="8.51777"
                           zFract="0.38333798"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20019"
                           xFract="0.73461967"
                           y3="6.36168"
                           yFract="0.75375355"
                           z3="4.22212"
                           zFract="0.1900144"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.50485"
                           xFract="0.77071682"
                           y3="6.06386"
                           yFract="0.71846682"
                           z3="8.44176"
                           zFract="0.37991719"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.163">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23209"
                           xFract="0.02749882"
                           y3="3.97005"
                           yFract="0.47038507"
                           z3="10.47518"
                           zFract="0.47143024"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04583"
                           xFract="-0.00543009"
                           y3="6.47678"
                           yFract="0.767391"
                           z3="8.47081"
                           zFract="0.38122457"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33292"
                           xFract="0.75034597"
                           y3="0.01141"
                           yFract="0.0013519"
                           z3="4.24507"
                           zFract="0.19104725"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.19779"
                           xFract="0.02343483"
                           y3="2.03078"
                           yFract="0.24061374"
                           z3="8.97742"
                           zFract="0.4040243"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35881"
                           xFract="0.75341351"
                           y3="6.31378"
                           yFract="0.7480782"
                           z3="6.36824"
                           zFract="0.28659946"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20637"
                           xFract="0.49838507"
                           y3="6.33479"
                           yFract="0.75056754"
                           z3="4.23143"
                           zFract="0.19043339"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41363"
                           xFract="0.99687559"
                           y3="0.06862"
                           yFract="0.00813033"
                           z3="6.36404"
                           zFract="0.28641044"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41536"
                           xFract="0.99708057"
                           y3="2.10743"
                           yFract="0.2496955"
                           z3="4.19392"
                           zFract="0.18874527"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14856"
                           xFract="0.25456872"
                           y3="4.28498"
                           yFract="0.50769905"
                           z3="8.53718"
                           zFract="0.38421152"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09046"
                           xFract="0.24768483"
                           y3="4.20886"
                           yFract="0.49868009"
                           z3="4.2714"
                           zFract="0.19223222"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06861"
                           xFract="0.24509597"
                           y3="6.34326"
                           yFract="0.75157109"
                           z3="6.38601"
                           zFract="0.28739919"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09275"
                           xFract="0.24795616"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="4.2259"
                           zFract="0.19018452"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25635"
                           xFract="0.50430687"
                           y3="0.01938"
                           yFract="0.00229621"
                           z3="6.32378"
                           zFract="0.28459856"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35777"
                           xFract="0.75329028"
                           y3="2.12305"
                           yFract="0.25154621"
                           z3="6.37681"
                           zFract="0.28698515"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.57069"
                           xFract="0.77851777"
                           y3="4.08012"
                           yFract="0.48342654"
                           z3="8.62315"
                           zFract="0.38808056"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18912"
                           xFract="0.49634123"
                           y3="2.18713"
                           yFract="0.25913863"
                           z3="8.53356"
                           zFract="0.3840486"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42475"
                           xFract="0.99819313"
                           y3="6.31069"
                           yFract="0.74771209"
                           z3="4.26556"
                           zFract="0.1919694"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40001"
                           xFract="0.99526185"
                           y3="4.17271"
                           yFract="0.49439692"
                           z3="6.43668"
                           zFract="0.28967957"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21323"
                           xFract="0.49919787"
                           y3="2.11827"
                           yFract="0.25097986"
                           z3="4.22812"
                           zFract="0.19028443"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02817"
                           xFract="0.2403045"
                           y3="2.09712"
                           yFract="0.24847393"
                           z3="6.42814"
                           zFract="0.28929523"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36335"
                           xFract="0.75395142"
                           y3="4.21057"
                           yFract="0.4988827"
                           z3="4.24889"
                           zFract="0.19121917"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.46573"
                           xFract="0.52911493"
                           y3="6.30418"
                           yFract="0.74694076"
                           z3="8.51122"
                           zFract="0.3830432"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27191"
                           xFract="0.50615047"
                           y3="4.18337"
                           yFract="0.49565995"
                           z3="6.44612"
                           zFract="0.29010441"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.18916"
                           xFract="0.25937915"
                           y3="-0.0435"
                           yFract="-0.00515403"
                           z3="8.44342"
                           zFract="0.3799919"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31337"
                           xFract="0.74802962"
                           y3="0.4302"
                           yFract="0.05097156"
                           z3="8.47882"
                           zFract="0.38158506"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26992"
                           xFract="0.97984834"
                           y3="2.03445"
                           yFract="0.24104858"
                           z3="6.21816"
                           zFract="0.27984518"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16009"
                           xFract="0.25593483"
                           y3="8.43045"
                           yFract="0.99886848"
                           z3="6.30783"
                           zFract="0.28388074"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00376"
                           xFract="-0.0004455"
                           y3="0.00661"
                           yFract="0.00078318"
                           z3="4.25485"
                           zFract="0.1914874"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3469"
                           xFract="0.98896919"
                           y3="0.17388"
                           yFract="0.0206019"
                           z3="8.40574"
                           zFract="0.37829613"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12162"
                           xFract="0.25137678"
                           y3="2.11667"
                           yFract="0.25079028"
                           z3="4.3017"
                           zFract="0.19359586"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.04217"
                           xFract="0.24196327"
                           y3="1.96596"
                           yFract="0.23293365"
                           z3="8.52751"
                           zFract="0.38377633"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41369"
                           xFract="0.52294905"
                           y3="2.10204"
                           yFract="0.24905687"
                           z3="6.3072"
                           zFract="0.28385239"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33197"
                           xFract="0.75023341"
                           y3="8.33508"
                           yFract="0.98756872"
                           z3="6.30776"
                           zFract="0.28387759"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2098"
                           xFract="0.49879147"
                           y3="8.3069"
                           yFract="0.98422986"
                           z3="4.20729"
                           zFract="0.18934698"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.37293"
                           xFract="0.51811967"
                           y3="-0.05391"
                           yFract="-0.00638744"
                           z3="8.47355"
                           zFract="0.38134788"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2858"
                           xFract="0.74476303"
                           y3="2.07401"
                           yFract="0.24573578"
                           z3="4.04604"
                           zFract="0.18209001"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.8118"
                           xFract="0.80708531"
                           y3="2.25772"
                           yFract="0.26750237"
                           z3="9.18084"
                           zFract="0.41317912"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41082"
                           xFract="0.99654265"
                           y3="6.49269"
                           yFract="0.76927607"
                           z3="6.3942"
                           zFract="0.28776778"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94632"
                           xFract="0.23060664"
                           y3="4.24047"
                           yFract="0.50242536"
                           z3="6.46562"
                           zFract="0.290982"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0235"
                           xFract="0.00278436"
                           y3="4.19327"
                           yFract="0.49683294"
                           z3="4.12515"
                           zFract="0.18565032"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.50135"
                           xFract="0.05940166"
                           y3="3.8586"
                           yFract="0.45718009"
                           z3="9.55927"
                           zFract="0.43021017"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19279"
                           xFract="0.25980924"
                           y3="6.31912"
                           yFract="0.7487109"
                           z3="4.2927"
                           zFract="0.19319082"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.98438"
                           xFract="0.23511611"
                           y3="6.40344"
                           yFract="0.75870142"
                           z3="8.48231"
                           zFract="0.38174212"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23289"
                           xFract="0.50152725"
                           y3="6.33721"
                           yFract="0.75085427"
                           z3="6.26878"
                           zFract="0.28212331"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42822"
                           xFract="0.76163744"
                           y3="4.29493"
                           yFract="0.50887796"
                           z3="6.3135"
                           zFract="0.28413591"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19079"
                           xFract="0.4965391"
                           y3="4.36895"
                           yFract="0.5176481"
                           z3="4.29821"
                           zFract="0.19343879"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13492"
                           xFract="0.48991943"
                           y3="4.27643"
                           yFract="0.50668602"
                           z3="8.51773"
                           zFract="0.38333618"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2004"
                           xFract="0.73464455"
                           y3="6.36166"
                           yFract="0.75375118"
                           z3="4.22164"
                           zFract="0.1899928"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.50675"
                           xFract="0.77094194"
                           y3="6.06127"
                           yFract="0.71815995"
                           z3="8.44088"
                           zFract="0.37987759"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.164">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23387"
                           xFract="0.02770972"
                           y3="3.96844"
                           yFract="0.47019431"
                           z3="10.4778"
                           zFract="0.47154815"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04588"
                           xFract="-0.00543602"
                           y3="6.47767"
                           yFract="0.76749645"
                           z3="8.47022"
                           zFract="0.38119802"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33287"
                           xFract="0.75034005"
                           y3="0.01146"
                           yFract="0.00135782"
                           z3="4.24498"
                           zFract="0.1910432"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.19913"
                           xFract="0.0235936"
                           y3="2.02969"
                           yFract="0.2404846"
                           z3="8.97889"
                           zFract="0.40409046"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35901"
                           xFract="0.7534372"
                           y3="6.31354"
                           yFract="0.74804976"
                           z3="6.36818"
                           zFract="0.28659676"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20598"
                           xFract="0.49833886"
                           y3="6.33509"
                           yFract="0.75060308"
                           z3="4.23147"
                           zFract="0.19043519"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4136"
                           xFract="0.99687204"
                           y3="0.06863"
                           yFract="0.00813152"
                           z3="6.36372"
                           zFract="0.28639604"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41539"
                           xFract="0.99708412"
                           y3="2.10744"
                           yFract="0.24969668"
                           z3="4.19372"
                           zFract="0.18873627"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14843"
                           xFract="0.25455332"
                           y3="4.28667"
                           yFract="0.50789929"
                           z3="8.5377"
                           zFract="0.38423492"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09039"
                           xFract="0.24767654"
                           y3="4.20873"
                           yFract="0.49866469"
                           z3="4.27154"
                           zFract="0.19223852"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06861"
                           xFract="0.24509597"
                           y3="6.34317"
                           yFract="0.75156043"
                           z3="6.38565"
                           zFract="0.28738299"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09272"
                           xFract="0.24795261"
                           y3="0.00613"
                           yFract="0.0007263"
                           z3="4.22611"
                           zFract="0.19019397"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2567"
                           xFract="0.50434834"
                           y3="0.01912"
                           yFract="0.0022654"
                           z3="6.32348"
                           zFract="0.28458506"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35779"
                           xFract="0.75329265"
                           y3="2.12308"
                           yFract="0.25154976"
                           z3="6.37631"
                           zFract="0.28696265"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.57359"
                           xFract="0.77886137"
                           y3="4.07946"
                           yFract="0.48334834"
                           z3="8.62307"
                           zFract="0.38807696"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18786"
                           xFract="0.49619194"
                           y3="2.18822"
                           yFract="0.25926777"
                           z3="8.53253"
                           zFract="0.38400225"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42475"
                           xFract="0.99819313"
                           y3="6.31076"
                           yFract="0.74772038"
                           z3="4.26554"
                           zFract="0.1919685"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40004"
                           xFract="0.9952654"
                           y3="4.17248"
                           yFract="0.49436967"
                           z3="6.43729"
                           zFract="0.28970702"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21298"
                           xFract="0.49916825"
                           y3="2.11815"
                           yFract="0.25096564"
                           z3="4.22808"
                           zFract="0.19028263"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02805"
                           xFract="0.24029028"
                           y3="2.09687"
                           yFract="0.24844431"
                           z3="6.42825"
                           zFract="0.28930018"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36332"
                           xFract="0.75394787"
                           y3="4.21048"
                           yFract="0.49887204"
                           z3="4.24885"
                           zFract="0.19121737"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.46823"
                           xFract="0.52941114"
                           y3="6.30397"
                           yFract="0.74691588"
                           z3="8.51125"
                           zFract="0.38304455"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27201"
                           xFract="0.50616232"
                           y3="4.18348"
                           yFract="0.49567299"
                           z3="6.44653"
                           zFract="0.29012286"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.18978"
                           xFract="0.25945261"
                           y3="-0.04402"
                           yFract="-0.00521564"
                           z3="8.44348"
                           zFract="0.3799946"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31299"
                           xFract="0.7479846"
                           y3="0.43346"
                           yFract="0.05135782"
                           z3="8.47873"
                           zFract="0.38158101"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2695"
                           xFract="0.97979858"
                           y3="2.03417"
                           yFract="0.2410154"
                           z3="6.21879"
                           zFract="0.27987354"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1601"
                           xFract="0.25593602"
                           y3="8.43069"
                           yFract="0.99889692"
                           z3="6.30789"
                           zFract="0.28388344"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00349"
                           xFract="-0.00041351"
                           y3="0.00653"
                           yFract="0.0007737"
                           z3="4.25474"
                           zFract="0.19148245"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34677"
                           xFract="0.98895379"
                           y3="0.17395"
                           yFract="0.02061019"
                           z3="8.40533"
                           zFract="0.37827768"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12189"
                           xFract="0.25140877"
                           y3="2.11684"
                           yFract="0.25081043"
                           z3="4.30185"
                           zFract="0.19360261"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.04347"
                           xFract="0.2421173"
                           y3="1.96508"
                           yFract="0.23282938"
                           z3="8.5272"
                           zFract="0.38376238"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41401"
                           xFract="0.52298697"
                           y3="2.10212"
                           yFract="0.24906635"
                           z3="6.30812"
                           zFract="0.28389379"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3321"
                           xFract="0.75024882"
                           y3="8.33488"
                           yFract="0.98754502"
                           z3="6.30782"
                           zFract="0.28388029"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2099"
                           xFract="0.49880332"
                           y3="8.30653"
                           yFract="0.98418602"
                           z3="4.20689"
                           zFract="0.18932898"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.37355"
                           xFract="0.51819313"
                           y3="-0.05538"
                           yFract="-0.00656161"
                           z3="8.47332"
                           zFract="0.38133753"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28582"
                           xFract="0.7447654"
                           y3="2.07392"
                           yFract="0.24572512"
                           z3="4.04595"
                           zFract="0.18208596"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.81399"
                           xFract="0.80734479"
                           y3="2.25858"
                           yFract="0.26760427"
                           z3="9.18323"
                           zFract="0.41328668"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41087"
                           xFract="0.99654858"
                           y3="6.49323"
                           yFract="0.76934005"
                           z3="6.3937"
                           zFract="0.28774527"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94601"
                           xFract="0.23056991"
                           y3="4.24054"
                           yFract="0.50243365"
                           z3="6.4661"
                           zFract="0.2910036"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02375"
                           xFract="0.00281398"
                           y3="4.19298"
                           yFract="0.49679858"
                           z3="4.12517"
                           zFract="0.18565122"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.5047"
                           xFract="0.05979858"
                           y3="3.85675"
                           yFract="0.4569609"
                           z3="9.5625"
                           zFract="0.43035554"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19292"
                           xFract="0.25982464"
                           y3="6.31906"
                           yFract="0.74870379"
                           z3="4.29259"
                           zFract="0.19318587"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.98301"
                           xFract="0.23495379"
                           y3="6.40404"
                           yFract="0.75877251"
                           z3="8.48228"
                           zFract="0.38174077"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23293"
                           xFract="0.50153199"
                           y3="6.33702"
                           yFract="0.75083175"
                           z3="6.26831"
                           zFract="0.28210216"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42839"
                           xFract="0.76165758"
                           y3="4.29499"
                           yFract="0.50888507"
                           z3="6.31322"
                           zFract="0.28412331"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19068"
                           xFract="0.49652607"
                           y3="4.36894"
                           yFract="0.51764692"
                           z3="4.29813"
                           zFract="0.19343519"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13455"
                           xFract="0.48987559"
                           y3="4.27719"
                           yFract="0.50677607"
                           z3="8.51772"
                           zFract="0.38333573"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20046"
                           xFract="0.73465166"
                           y3="6.36167"
                           yFract="0.75375237"
                           z3="4.22138"
                           zFract="0.1899811"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.50782"
                           xFract="0.77106872"
                           y3="6.0599"
                           yFract="0.71799763"
                           z3="8.44042"
                           zFract="0.37985689"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.165">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.2392"
                           xFract="0.02834123"
                           y3="3.9636"
                           yFract="0.46962085"
                           z3="10.48565"
                           zFract="0.47190144"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04601"
                           xFract="-0.00545142"
                           y3="6.48034"
                           yFract="0.7678128"
                           z3="8.46843"
                           zFract="0.38111746"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3327"
                           xFract="0.75031991"
                           y3="0.01161"
                           yFract="0.00137559"
                           z3="4.2447"
                           zFract="0.1910306"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.20314"
                           xFract="0.02406872"
                           y3="2.02643"
                           yFract="0.24009834"
                           z3="8.9833"
                           zFract="0.40428893"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35962"
                           xFract="0.75350948"
                           y3="6.3128"
                           yFract="0.74796209"
                           z3="6.36799"
                           zFract="0.28658821"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20481"
                           xFract="0.49820024"
                           y3="6.33597"
                           yFract="0.75070735"
                           z3="4.23158"
                           zFract="0.19044014"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41352"
                           xFract="0.99686256"
                           y3="0.06866"
                           yFract="0.00813507"
                           z3="6.36278"
                           zFract="0.28635374"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41547"
                           xFract="0.9970936"
                           y3="2.10748"
                           yFract="0.24970142"
                           z3="4.19312"
                           zFract="0.18870927"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14803"
                           xFract="0.25450592"
                           y3="4.29173"
                           yFract="0.50849882"
                           z3="8.53925"
                           zFract="0.38430468"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09017"
                           xFract="0.24765047"
                           y3="4.20832"
                           yFract="0.49861611"
                           z3="4.27196"
                           zFract="0.19225743"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06862"
                           xFract="0.24509716"
                           y3="6.34291"
                           yFract="0.75152962"
                           z3="6.38454"
                           zFract="0.28733303"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09265"
                           xFract="0.24794431"
                           y3="0.0064"
                           yFract="0.00075829"
                           z3="4.22674"
                           zFract="0.19022232"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25774"
                           xFract="0.50447156"
                           y3="0.01835"
                           yFract="0.00217417"
                           z3="6.32258"
                           zFract="0.28454455"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35783"
                           xFract="0.75329739"
                           y3="2.12317"
                           yFract="0.25156043"
                           z3="6.3748"
                           zFract="0.28689469"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.58229"
                           xFract="0.77989218"
                           y3="4.07749"
                           yFract="0.48311493"
                           z3="8.62282"
                           zFract="0.38806571"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18408"
                           xFract="0.49574408"
                           y3="2.19148"
                           yFract="0.25965403"
                           z3="8.52945"
                           zFract="0.38386364"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42475"
                           xFract="0.99819313"
                           y3="6.31097"
                           yFract="0.74774526"
                           z3="4.26548"
                           zFract="0.1919658"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40013"
                           xFract="0.99527607"
                           y3="4.1718"
                           yFract="0.4942891"
                           z3="6.43911"
                           zFract="0.28978893"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21222"
                           xFract="0.4990782"
                           y3="2.11779"
                           yFract="0.25092299"
                           z3="4.22796"
                           zFract="0.19027723"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02768"
                           xFract="0.24024645"
                           y3="2.09613"
                           yFract="0.24835664"
                           z3="6.42858"
                           zFract="0.28931503"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36321"
                           xFract="0.75393483"
                           y3="4.2102"
                           yFract="0.49883886"
                           z3="4.24874"
                           zFract="0.19121242"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.47571"
                           xFract="0.53029739"
                           y3="6.30334"
                           yFract="0.74684123"
                           z3="8.51133"
                           zFract="0.38304815"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2723"
                           xFract="0.50619668"
                           y3="4.18381"
                           yFract="0.49571209"
                           z3="6.44775"
                           zFract="0.29017777"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.19165"
                           xFract="0.25967417"
                           y3="-0.0456"
                           yFract="-0.00540284"
                           z3="8.44366"
                           zFract="0.3800027"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31187"
                           xFract="0.7478519"
                           y3="0.44326"
                           yFract="0.05251896"
                           z3="8.47848"
                           zFract="0.38156976"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26825"
                           xFract="0.97965047"
                           y3="2.03331"
                           yFract="0.24091351"
                           z3="6.22068"
                           zFract="0.2799586"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16015"
                           xFract="0.25594194"
                           y3="8.4314"
                           yFract="0.99898104"
                           z3="6.30804"
                           zFract="0.28389019"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00269"
                           xFract="-0.00031872"
                           y3="0.00628"
                           yFract="0.00074408"
                           z3="4.25443"
                           zFract="0.1914685"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34638"
                           xFract="0.98890758"
                           y3="0.17413"
                           yFract="0.02063152"
                           z3="8.40408"
                           zFract="0.37822142"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12268"
                           xFract="0.25150237"
                           y3="2.11736"
                           yFract="0.25087204"
                           z3="4.3023"
                           zFract="0.19362286"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.04738"
                           xFract="0.24258057"
                           y3="1.96245"
                           yFract="0.23251777"
                           z3="8.52626"
                           zFract="0.38372007"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41499"
                           xFract="0.52310308"
                           y3="2.10237"
                           yFract="0.24909597"
                           z3="6.31087"
                           zFract="0.28401755"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33248"
                           xFract="0.75029384"
                           y3="8.33428"
                           yFract="0.98747393"
                           z3="6.30797"
                           zFract="0.28388704"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21022"
                           xFract="0.49884123"
                           y3="8.30542"
                           yFract="0.9840545"
                           z3="4.20569"
                           zFract="0.18927498"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.37542"
                           xFract="0.51841469"
                           y3="-0.05977"
                           yFract="-0.00708175"
                           z3="8.47266"
                           zFract="0.38130783"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28587"
                           xFract="0.74477133"
                           y3="2.07367"
                           yFract="0.2456955"
                           z3="4.04565"
                           zFract="0.18207246"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.82057"
                           xFract="0.80812441"
                           y3="2.26117"
                           yFract="0.26791114"
                           z3="9.19042"
                           zFract="0.41361026"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41104"
                           xFract="0.99656872"
                           y3="6.49487"
                           yFract="0.76953436"
                           z3="6.39221"
                           zFract="0.28767822"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94505"
                           xFract="0.23045616"
                           y3="4.24075"
                           yFract="0.50245853"
                           z3="6.46754"
                           zFract="0.29106841"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02448"
                           xFract="0.00290047"
                           y3="4.19214"
                           yFract="0.49669905"
                           z3="4.12522"
                           zFract="0.18565347"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.51475"
                           xFract="0.06098934"
                           y3="3.8512"
                           yFract="0.45630332"
                           z3="9.5722"
                           zFract="0.43079208"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1933"
                           xFract="0.25986967"
                           y3="6.31886"
                           yFract="0.74868009"
                           z3="4.29226"
                           zFract="0.19317102"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.97889"
                           xFract="0.23446564"
                           y3="6.40584"
                           yFract="0.75898578"
                           z3="8.48219"
                           zFract="0.38173672"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23308"
                           xFract="0.50154976"
                           y3="6.33648"
                           yFract="0.75076777"
                           z3="6.2669"
                           zFract="0.2820387"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42891"
                           xFract="0.76171919"
                           y3="4.29517"
                           yFract="0.5089064"
                           z3="6.31236"
                           zFract="0.28408461"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19037"
                           xFract="0.49648934"
                           y3="4.36892"
                           yFract="0.51764455"
                           z3="4.2979"
                           zFract="0.19342484"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13343"
                           xFract="0.48974289"
                           y3="4.27946"
                           yFract="0.50704502"
                           z3="8.5177"
                           zFract="0.38333483"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20065"
                           xFract="0.73467417"
                           y3="6.36169"
                           yFract="0.75375474"
                           z3="4.22062"
                           zFract="0.18994689"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.51103"
                           xFract="0.77144905"
                           y3="6.0558"
                           yFract="0.71751185"
                           z3="8.43902"
                           zFract="0.37979388"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.166">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.24985"
                           xFract="0.02960308"
                           y3="3.95392"
                           yFract="0.46847393"
                           z3="10.50134"
                           zFract="0.47260756"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04627"
                           xFract="-0.00548223"
                           y3="6.48568"
                           yFract="0.7684455"
                           z3="8.46486"
                           zFract="0.3809568"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33236"
                           xFract="0.75027962"
                           y3="0.01191"
                           yFract="0.00141114"
                           z3="4.24413"
                           zFract="0.19100495"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.21117"
                           xFract="0.02502014"
                           y3="2.01989"
                           yFract="0.23932346"
                           z3="8.99213"
                           zFract="0.40468632"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36083"
                           xFract="0.75365284"
                           y3="6.31133"
                           yFract="0.74778791"
                           z3="6.36762"
                           zFract="0.28657156"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20247"
                           xFract="0.49792299"
                           y3="6.33774"
                           yFract="0.75091706"
                           z3="4.2318"
                           zFract="0.19045005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41336"
                           xFract="0.9968436"
                           y3="0.06872"
                           yFract="0.00814218"
                           z3="6.36089"
                           zFract="0.28626868"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41564"
                           xFract="0.99711374"
                           y3="2.10755"
                           yFract="0.24970972"
                           z3="4.19193"
                           zFract="0.18865572"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14723"
                           xFract="0.25441114"
                           y3="4.30186"
                           yFract="0.50969905"
                           z3="8.54235"
                           zFract="0.38444419"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08974"
                           xFract="0.24759953"
                           y3="4.20751"
                           yFract="0.49852014"
                           z3="4.2728"
                           zFract="0.19229523"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06864"
                           xFract="0.24509953"
                           y3="6.34238"
                           yFract="0.75146682"
                           z3="6.38234"
                           zFract="0.28723402"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0925"
                           xFract="0.24792654"
                           y3="0.00694"
                           yFract="0.00082227"
                           z3="4.22799"
                           zFract="0.19027858"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.25982"
                           xFract="0.50471801"
                           y3="0.01681"
                           yFract="0.00199171"
                           z3="6.3208"
                           zFract="0.28446445"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35791"
                           xFract="0.75330687"
                           y3="2.12334"
                           yFract="0.25158057"
                           z3="6.37179"
                           zFract="0.28675923"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.59968"
                           xFract="0.78195261"
                           y3="4.07355"
                           yFract="0.4826481"
                           z3="8.62232"
                           zFract="0.3880432"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17653"
                           xFract="0.49484953"
                           y3="2.19802"
                           yFract="0.26042891"
                           z3="8.52327"
                           zFract="0.38358551"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42475"
                           xFract="0.99819313"
                           y3="6.3114"
                           yFract="0.74779621"
                           z3="4.26538"
                           zFract="0.1919613"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40029"
                           xFract="0.99529502"
                           y3="4.17044"
                           yFract="0.49412796"
                           z3="6.44276"
                           zFract="0.2899532"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21072"
                           xFract="0.49890047"
                           y3="2.11708"
                           yFract="0.25083886"
                           z3="4.22771"
                           zFract="0.19026598"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02696"
                           xFract="0.24016114"
                           y3="2.09464"
                           yFract="0.24818009"
                           z3="6.42923"
                           zFract="0.28934428"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3630"
                           xFract="0.75390995"
                           y3="4.20964"
                           yFract="0.49877251"
                           z3="4.2485"
                           zFract="0.19120162"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.49068"
                           xFract="0.53207109"
                           y3="6.30208"
                           yFract="0.74669194"
                           z3="8.51149"
                           zFract="0.38305536"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27289"
                           xFract="0.50626659"
                           y3="4.18446"
                           yFract="0.4957891"
                           z3="6.4502"
                           zFract="0.29028803"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.19539"
                           xFract="0.2601173"
                           y3="-0.04875"
                           yFract="-0.00577607"
                           z3="8.44402"
                           zFract="0.3800189"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30963"
                           xFract="0.74758649"
                           y3="0.46284"
                           yFract="0.05483886"
                           z3="8.47797"
                           zFract="0.3815468"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26574"
                           xFract="0.97935308"
                           y3="2.03159"
                           yFract="0.24070972"
                           z3="6.22446"
                           zFract="0.28012871"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16025"
                           xFract="0.25595379"
                           y3="8.43283"
                           yFract="0.99915047"
                           z3="6.30835"
                           zFract="0.28390414"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00109"
                           xFract="-0.00012915"
                           y3="0.00579"
                           yFract="0.00068602"
                           z3="4.25381"
                           zFract="0.19144059"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3456"
                           xFract="0.98881517"
                           y3="0.17451"
                           yFract="0.02067654"
                           z3="8.40159"
                           zFract="0.37810936"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12428"
                           xFract="0.25169194"
                           y3="2.11839"
                           yFract="0.25099408"
                           z3="4.30319"
                           zFract="0.19366292"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0552"
                           xFract="0.24350711"
                           y3="1.9572"
                           yFract="0.23189573"
                           z3="8.52438"
                           zFract="0.38363546"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41693"
                           xFract="0.52333294"
                           y3="2.10285"
                           yFract="0.24915284"
                           z3="6.31637"
                           zFract="0.28426508"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33324"
                           xFract="0.75038389"
                           y3="8.33307"
                           yFract="0.98733057"
                           z3="6.30828"
                           zFract="0.28390099"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21085"
                           xFract="0.49891588"
                           y3="8.3032"
                           yFract="0.98379147"
                           z3="4.20329"
                           zFract="0.18916697"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.37916"
                           xFract="0.51885782"
                           y3="-0.06854"
                           yFract="-0.00812085"
                           z3="8.47132"
                           zFract="0.38124752"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28597"
                           xFract="0.74478318"
                           y3="2.07316"
                           yFract="0.24563507"
                           z3="4.04506"
                           zFract="0.1820459"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.83374"
                           xFract="0.80968483"
                           y3="2.26633"
                           yFract="0.26852251"
                           z3="9.20479"
                           zFract="0.41425698"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41138"
                           xFract="0.996609"
                           y3="6.49815"
                           yFract="0.76992299"
                           z3="6.38921"
                           zFract="0.2875432"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94315"
                           xFract="0.23023104"
                           y3="4.24116"
                           yFract="0.50250711"
                           z3="6.47043"
                           zFract="0.29119847"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02596"
                           xFract="0.00307583"
                           y3="4.19044"
                           yFract="0.49649763"
                           z3="4.12531"
                           zFract="0.18565752"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.53484"
                           xFract="0.06336967"
                           y3="3.84011"
                           yFract="0.45498934"
                           z3="9.5916"
                           zFract="0.43166517"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19406"
                           xFract="0.25995972"
                           y3="6.31846"
                           yFract="0.7486327"
                           z3="4.2916"
                           zFract="0.19314131"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.97064"
                           xFract="0.23348815"
                           y3="6.40945"
                           yFract="0.75941351"
                           z3="8.48203"
                           zFract="0.38172952"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23336"
                           xFract="0.50158294"
                           y3="6.33539"
                           yFract="0.75063863"
                           z3="6.26408"
                           zFract="0.28191179"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42995"
                           xFract="0.76184242"
                           y3="4.29553"
                           yFract="0.50894905"
                           z3="6.31064"
                           zFract="0.2840072"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18975"
                           xFract="0.49641588"
                           y3="4.36887"
                           yFract="0.51763863"
                           z3="4.29744"
                           zFract="0.19340414"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13119"
                           xFract="0.48947749"
                           y3="4.2840"
                           yFract="0.50758294"
                           z3="8.51766"
                           zFract="0.38333303"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20103"
                           xFract="0.73471919"
                           y3="6.36173"
                           yFract="0.75375948"
                           z3="4.2191"
                           zFract="0.18987849"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.51746"
                           xFract="0.7722109"
                           y3="6.04761"
                           yFract="0.71654147"
                           z3="8.43622"
                           zFract="0.37966787"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.167">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25008"
                           xFract="0.02963033"
                           y3="3.95333"
                           yFract="0.46840403"
                           z3="10.50536"
                           zFract="0.47278848"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04633"
                           xFract="-0.00548934"
                           y3="6.48601"
                           yFract="0.7684846"
                           z3="8.4645"
                           zFract="0.38094059"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33242"
                           xFract="0.75028673"
                           y3="0.01182"
                           yFract="0.00140047"
                           z3="4.24414"
                           zFract="0.1910054"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.21226"
                           xFract="0.02514929"
                           y3="2.01961"
                           yFract="0.23929028"
                           z3="8.99293"
                           zFract="0.40472232"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3610"
                           xFract="0.75367299"
                           y3="6.31131"
                           yFract="0.74778555"
                           z3="6.36753"
                           zFract="0.28656751"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20249"
                           xFract="0.49792536"
                           y3="6.33741"
                           yFract="0.75087796"
                           z3="4.23163"
                           zFract="0.19044239"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41334"
                           xFract="0.99684123"
                           y3="0.06884"
                           yFract="0.0081564"
                           z3="6.36097"
                           zFract="0.28627228"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41568"
                           xFract="0.99711848"
                           y3="2.10752"
                           yFract="0.24970616"
                           z3="4.19222"
                           zFract="0.18866877"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14691"
                           xFract="0.25437322"
                           y3="4.30277"
                           yFract="0.50980687"
                           z3="8.54275"
                           zFract="0.3844622"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08971"
                           xFract="0.24759597"
                           y3="4.20745"
                           yFract="0.49851303"
                           z3="4.27286"
                           zFract="0.19229793"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06865"
                           xFract="0.24510071"
                           y3="6.3424"
                           yFract="0.75146919"
                           z3="6.38225"
                           zFract="0.28722997"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09257"
                           xFract="0.24793483"
                           y3="0.00702"
                           yFract="0.00083175"
                           z3="4.22807"
                           zFract="0.19028218"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26008"
                           xFract="0.50474882"
                           y3="0.01671"
                           yFract="0.00197986"
                           z3="6.32076"
                           zFract="0.28446265"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3578"
                           xFract="0.75329384"
                           y3="2.12343"
                           yFract="0.25159123"
                           z3="6.37136"
                           zFract="0.28673987"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.6013"
                           xFract="0.78214455"
                           y3="4.07343"
                           yFract="0.48263389"
                           z3="8.62256"
                           zFract="0.38805401"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17599"
                           xFract="0.49478555"
                           y3="2.19881"
                           yFract="0.26052251"
                           z3="8.5228"
                           zFract="0.38356436"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42473"
                           xFract="0.99819076"
                           y3="6.31131"
                           yFract="0.74778555"
                           z3="4.26527"
                           zFract="0.19195635"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40024"
                           xFract="0.9952891"
                           y3="4.17039"
                           yFract="0.49412204"
                           z3="6.44315"
                           zFract="0.28997075"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21064"
                           xFract="0.498891"
                           y3="2.11702"
                           yFract="0.25083175"
                           z3="4.22768"
                           zFract="0.19026463"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02688"
                           xFract="0.24015166"
                           y3="2.09453"
                           yFract="0.24816706"
                           z3="6.42927"
                           zFract="0.28934608"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36293"
                           xFract="0.75390166"
                           y3="4.20964"
                           yFract="0.49877251"
                           z3="4.24847"
                           zFract="0.19120027"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.49207"
                           xFract="0.53223578"
                           y3="6.30194"
                           yFract="0.74667536"
                           z3="8.51142"
                           zFract="0.38305221"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27295"
                           xFract="0.5062737"
                           y3="4.18456"
                           yFract="0.49580095"
                           z3="6.45034"
                           zFract="0.29029433"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.19601"
                           xFract="0.26019076"
                           y3="-0.04898"
                           yFract="-0.00580332"
                           z3="8.44436"
                           zFract="0.3800342"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30931"
                           xFract="0.74754858"
                           y3="0.46464"
                           yFract="0.05505213"
                           z3="8.47798"
                           zFract="0.38154725"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26565"
                           xFract="0.97934242"
                           y3="2.03137"
                           yFract="0.24068365"
                           z3="6.2246"
                           zFract="0.28013501"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16039"
                           xFract="0.25597038"
                           y3="8.4330"
                           yFract="0.99917062"
                           z3="6.30822"
                           zFract="0.28389829"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00091"
                           xFract="-0.00010782"
                           y3="0.00583"
                           yFract="0.00069076"
                           z3="4.25378"
                           zFract="0.19143924"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34546"
                           xFract="0.98879858"
                           y3="0.17445"
                           yFract="0.02066943"
                           z3="8.40127"
                           zFract="0.37809496"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12425"
                           xFract="0.25168839"
                           y3="2.11835"
                           yFract="0.25098934"
                           z3="4.30325"
                           zFract="0.19366562"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05573"
                           xFract="0.24356991"
                           y3="1.9566"
                           yFract="0.23182464"
                           z3="8.5242"
                           zFract="0.38362736"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41707"
                           xFract="0.52334953"
                           y3="2.10286"
                           yFract="0.24915403"
                           z3="6.31681"
                           zFract="0.28428488"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="8.33303"
                           yFract="0.98732583"
                           z3="6.30837"
                           zFract="0.28390504"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21085"
                           xFract="0.49891588"
                           y3="8.30325"
                           yFract="0.98379739"
                           z3="4.20324"
                           zFract="0.18916472"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.37955"
                           xFract="0.51890403"
                           y3="-0.06964"
                           yFract="-0.00825118"
                           z3="8.47117"
                           zFract="0.38124077"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28614"
                           xFract="0.74480332"
                           y3="2.07305"
                           yFract="0.24562204"
                           z3="4.04508"
                           zFract="0.1820468"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.83491"
                           xFract="0.80982346"
                           y3="2.26659"
                           yFract="0.26855332"
                           z3="9.20592"
                           zFract="0.41430783"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41146"
                           xFract="0.99661848"
                           y3="6.49848"
                           yFract="0.76996209"
                           z3="6.3887"
                           zFract="0.28752025"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9429"
                           xFract="0.23020142"
                           y3="4.24111"
                           yFract="0.50250118"
                           z3="6.47073"
                           zFract="0.29121197"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02603"
                           xFract="0.00308412"
                           y3="4.19035"
                           yFract="0.49648697"
                           z3="4.12535"
                           zFract="0.18565932"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.53776"
                           xFract="0.06371564"
                           y3="3.83841"
                           yFract="0.45478791"
                           z3="9.59075"
                           zFract="0.43162691"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19421"
                           xFract="0.25997749"
                           y3="6.31854"
                           yFract="0.74864218"
                           z3="4.29161"
                           zFract="0.19314176"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.9696"
                           xFract="0.23336493"
                           y3="6.40962"
                           yFract="0.75943365"
                           z3="8.48197"
                           zFract="0.38172682"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23331"
                           xFract="0.50157701"
                           y3="6.33531"
                           yFract="0.75062915"
                           z3="6.26393"
                           zFract="0.28190504"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43008"
                           xFract="0.76185782"
                           y3="4.2956"
                           yFract="0.50895735"
                           z3="6.31044"
                           zFract="0.2839982"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18963"
                           xFract="0.49640166"
                           y3="4.36893"
                           yFract="0.51764573"
                           z3="4.29752"
                           zFract="0.19340774"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13091"
                           xFract="0.48944431"
                           y3="4.28462"
                           yFract="0.5076564"
                           z3="8.51769"
                           zFract="0.38333438"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20085"
                           xFract="0.73469787"
                           y3="6.36181"
                           yFract="0.75376896"
                           z3="4.21908"
                           zFract="0.18987759"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.51822"
                           xFract="0.77230095"
                           y3="6.04701"
                           yFract="0.71647038"
                           z3="8.43601"
                           zFract="0.37965842"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.168">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25041"
                           xFract="0.02966943"
                           y3="3.95249"
                           yFract="0.4683045"
                           z3="10.51102"
                           zFract="0.4730432"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04643"
                           xFract="-0.00550118"
                           y3="6.48647"
                           yFract="0.7685391"
                           z3="8.46398"
                           zFract="0.38091719"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33251"
                           xFract="0.75029739"
                           y3="0.0117"
                           yFract="0.00138626"
                           z3="4.24416"
                           zFract="0.1910063"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.21381"
                           xFract="0.02533294"
                           y3="2.01921"
                           yFract="0.23924289"
                           z3="8.99406"
                           zFract="0.40477318"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36124"
                           xFract="0.75370142"
                           y3="6.31128"
                           yFract="0.74778199"
                           z3="6.3674"
                           zFract="0.28656166"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20252"
                           xFract="0.49792891"
                           y3="6.33694"
                           yFract="0.75082227"
                           z3="4.23139"
                           zFract="0.19043159"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41332"
                           xFract="0.99683886"
                           y3="0.06901"
                           yFract="0.00817654"
                           z3="6.3611"
                           zFract="0.28627813"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41574"
                           xFract="0.99712559"
                           y3="2.10747"
                           yFract="0.24970024"
                           z3="4.19263"
                           zFract="0.18868722"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14646"
                           xFract="0.25431991"
                           y3="4.30406"
                           yFract="0.50995972"
                           z3="8.5433"
                           zFract="0.38448695"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08966"
                           xFract="0.24759005"
                           y3="4.20737"
                           yFract="0.49850355"
                           z3="4.27293"
                           zFract="0.19230108"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06867"
                           xFract="0.24510308"
                           y3="6.34243"
                           yFract="0.75147275"
                           z3="6.38213"
                           zFract="0.28722457"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09267"
                           xFract="0.24794668"
                           y3="0.00714"
                           yFract="0.00084597"
                           z3="4.22817"
                           zFract="0.19028668"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26045"
                           xFract="0.50479265"
                           y3="0.01658"
                           yFract="0.00196445"
                           z3="6.32072"
                           zFract="0.28446085"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35763"
                           xFract="0.7532737"
                           y3="2.12356"
                           yFract="0.25160664"
                           z3="6.37075"
                           zFract="0.28671242"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.60359"
                           xFract="0.78241588"
                           y3="4.07326"
                           yFract="0.48261374"
                           z3="8.62288"
                           zFract="0.38806841"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17524"
                           xFract="0.49469668"
                           y3="2.19993"
                           yFract="0.26065521"
                           z3="8.52215"
                           zFract="0.3835351"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4247"
                           xFract="0.9981872"
                           y3="6.3112"
                           yFract="0.74777251"
                           z3="4.26513"
                           zFract="0.19195005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40016"
                           xFract="0.99527962"
                           y3="4.17032"
                           yFract="0.49411374"
                           z3="6.4437"
                           zFract="0.2899955"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21053"
                           xFract="0.49887796"
                           y3="2.11694"
                           yFract="0.25082227"
                           z3="4.22762"
                           zFract="0.19026193"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02677"
                           xFract="0.24013863"
                           y3="2.09438"
                           yFract="0.24814929"
                           z3="6.42933"
                           zFract="0.28934878"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36284"
                           xFract="0.753891"
                           y3="4.20963"
                           yFract="0.49877133"
                           z3="4.24842"
                           zFract="0.19119802"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.49405"
                           xFract="0.53247038"
                           y3="6.30174"
                           yFract="0.74665166"
                           z3="8.51133"
                           zFract="0.38304815"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27304"
                           xFract="0.50628436"
                           y3="4.18469"
                           yFract="0.49581635"
                           z3="6.45053"
                           zFract="0.29030288"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.19688"
                           xFract="0.26029384"
                           y3="-0.0493"
                           yFract="-0.00584123"
                           z3="8.44484"
                           zFract="0.38005581"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30886"
                           xFract="0.74749526"
                           y3="0.46719"
                           yFract="0.05535427"
                           z3="8.47798"
                           zFract="0.38154725"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26552"
                           xFract="0.97932701"
                           y3="2.03106"
                           yFract="0.24064692"
                           z3="6.22479"
                           zFract="0.28014356"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16059"
                           xFract="0.25599408"
                           y3="8.43323"
                           yFract="0.99919787"
                           z3="6.30803"
                           zFract="0.28388974"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00065"
                           xFract="-0.00007701"
                           y3="0.00587"
                           yFract="0.0006955"
                           z3="4.25374"
                           zFract="0.19143744"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34527"
                           xFract="0.98877607"
                           y3="0.17438"
                           yFract="0.02066114"
                           z3="8.40084"
                           zFract="0.37807561"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12421"
                           xFract="0.25168365"
                           y3="2.11829"
                           yFract="0.25098223"
                           z3="4.30333"
                           zFract="0.19366922"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05647"
                           xFract="0.24365758"
                           y3="1.95575"
                           yFract="0.23172393"
                           z3="8.52394"
                           zFract="0.38361566"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41728"
                           xFract="0.52337441"
                           y3="2.10287"
                           yFract="0.24915521"
                           z3="6.31744"
                           zFract="0.28431323"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33352"
                           xFract="0.75041706"
                           y3="8.33296"
                           yFract="0.98731754"
                           z3="6.3085"
                           zFract="0.28391089"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21085"
                           xFract="0.49891588"
                           y3="8.30332"
                           yFract="0.98380569"
                           z3="4.20318"
                           zFract="0.18916202"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38011"
                           xFract="0.51897038"
                           y3="-0.0712"
                           yFract="-0.00843602"
                           z3="8.47096"
                           zFract="0.38123132"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28638"
                           xFract="0.74483175"
                           y3="2.07289"
                           yFract="0.24560308"
                           z3="4.0451"
                           zFract="0.1820477"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.83656"
                           xFract="0.81001896"
                           y3="2.26697"
                           yFract="0.26859834"
                           z3="9.20751"
                           zFract="0.41437939"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41159"
                           xFract="0.99663389"
                           y3="6.49895"
                           yFract="0.77001777"
                           z3="6.38799"
                           zFract="0.2874883"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94255"
                           xFract="0.23015995"
                           y3="4.24104"
                           yFract="0.50249289"
                           z3="6.47116"
                           zFract="0.29123132"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02612"
                           xFract="0.00309479"
                           y3="4.19022"
                           yFract="0.49647156"
                           z3="4.1254"
                           zFract="0.18566157"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.54188"
                           xFract="0.06420379"
                           y3="3.8360"
                           yFract="0.45450237"
                           z3="9.58955"
                           zFract="0.43157291"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19442"
                           xFract="0.26000237"
                           y3="6.31865"
                           yFract="0.74865521"
                           z3="4.29162"
                           zFract="0.19314221"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.96812"
                           xFract="0.23318957"
                           y3="6.40988"
                           yFract="0.75946445"
                           z3="8.48189"
                           zFract="0.38172322"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23323"
                           xFract="0.50156754"
                           y3="6.33521"
                           yFract="0.7506173"
                           z3="6.26371"
                           zFract="0.28189514"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43027"
                           xFract="0.76188033"
                           y3="4.2957"
                           yFract="0.50896919"
                           z3="6.31016"
                           zFract="0.2839856"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18947"
                           xFract="0.4963827"
                           y3="4.36902"
                           yFract="0.5176564"
                           z3="4.29762"
                           zFract="0.19341224"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13051"
                           xFract="0.48939692"
                           y3="4.28548"
                           yFract="0.50775829"
                           z3="8.51774"
                           zFract="0.38333663"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2006"
                           xFract="0.73466825"
                           y3="6.36192"
                           yFract="0.75378199"
                           z3="4.21905"
                           zFract="0.18987624"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5193"
                           xFract="0.77242891"
                           y3="6.04616"
                           yFract="0.71636967"
                           z3="8.43571"
                           zFract="0.37964491"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.169">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25076"
                           xFract="0.0297109"
                           y3="3.95223"
                           yFract="0.4682737"
                           z3="10.51146"
                           zFract="0.47306301"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0465"
                           xFract="-0.00550948"
                           y3="6.48639"
                           yFract="0.76852962"
                           z3="8.46383"
                           zFract="0.38091044"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33265"
                           xFract="0.75031398"
                           y3="0.01153"
                           yFract="0.00136611"
                           z3="4.24425"
                           zFract="0.19101035"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.21455"
                           xFract="0.02542062"
                           y3="2.01937"
                           yFract="0.23926185"
                           z3="8.99417"
                           zFract="0.40477813"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36136"
                           xFract="0.75371564"
                           y3="6.31143"
                           yFract="0.74779976"
                           z3="6.36728"
                           zFract="0.28655626"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20282"
                           xFract="0.49796445"
                           y3="6.33635"
                           yFract="0.75075237"
                           z3="4.23114"
                           zFract="0.19042034"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41332"
                           xFract="0.99683886"
                           y3="0.06918"
                           yFract="0.00819668"
                           z3="6.36142"
                           zFract="0.28629253"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41579"
                           xFract="0.99713152"
                           y3="2.10742"
                           yFract="0.24969431"
                           z3="4.19319"
                           zFract="0.18871242"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14632"
                           xFract="0.25430332"
                           y3="4.30437"
                           yFract="0.50999645"
                           z3="8.54339"
                           zFract="0.384491"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08965"
                           xFract="0.24758886"
                           y3="4.20738"
                           yFract="0.49850474"
                           z3="4.27292"
                           zFract="0.19230063"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06869"
                           xFract="0.24510545"
                           y3="6.34254"
                           yFract="0.75148578"
                           z3="6.38226"
                           zFract="0.28723042"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0928"
                           xFract="0.24796209"
                           y3="0.0072"
                           yFract="0.00085308"
                           z3="4.22814"
                           zFract="0.19028533"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26059"
                           xFract="0.50480924"
                           y3="0.0166"
                           yFract="0.00196682"
                           z3="6.32087"
                           zFract="0.2844676"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35748"
                           xFract="0.75325592"
                           y3="2.12367"
                           yFract="0.25161967"
                           z3="6.37045"
                           zFract="0.28669892"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.60406"
                           xFract="0.78247156"
                           y3="4.07353"
                           yFract="0.48264573"
                           z3="8.6233"
                           zFract="0.38808731"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17529"
                           xFract="0.49470261"
                           y3="2.2004"
                           yFract="0.2607109"
                           z3="8.52215"
                           zFract="0.3835351"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42467"
                           xFract="0.99818365"
                           y3="6.31102"
                           yFract="0.74775118"
                           z3="4.26498"
                           zFract="0.19194329"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40007"
                           xFract="0.99526896"
                           y3="4.1704"
                           yFract="0.49412322"
                           z3="6.44388"
                           zFract="0.2900036"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21058"
                           xFract="0.49888389"
                           y3="2.11693"
                           yFract="0.25082109"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02674"
                           xFract="0.24013507"
                           y3="2.09439"
                           yFract="0.24815047"
                           z3="6.42933"
                           zFract="0.28934878"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36278"
                           xFract="0.75388389"
                           y3="4.20968"
                           yFract="0.49877725"
                           z3="4.24839"
                           zFract="0.19119667"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.49446"
                           xFract="0.53251896"
                           y3="6.30165"
                           yFract="0.746641"
                           z3="8.51122"
                           zFract="0.3830432"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27307"
                           xFract="0.50628791"
                           y3="4.18477"
                           yFract="0.49582583"
                           z3="6.45046"
                           zFract="0.29029973"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.19741"
                           xFract="0.26035664"
                           y3="-0.04931"
                           yFract="-0.00584242"
                           z3="8.4453"
                           zFract="0.38007651"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30863"
                           xFract="0.74746801"
                           y3="0.46769"
                           yFract="0.05541351"
                           z3="8.47805"
                           zFract="0.38155041"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26565"
                           xFract="0.97934242"
                           y3="2.0309"
                           yFract="0.24062796"
                           z3="6.22456"
                           zFract="0.28013321"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1608"
                           xFract="0.25601896"
                           y3="8.4333"
                           yFract="0.99920616"
                           z3="6.30782"
                           zFract="0.28388029"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00058"
                           xFract="-0.00006872"
                           y3="0.00598"
                           yFract="0.00070853"
                           z3="4.25376"
                           zFract="0.19143834"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34514"
                           xFract="0.98876066"
                           y3="0.17427"
                           yFract="0.0206481"
                           z3="8.40067"
                           zFract="0.37806796"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12399"
                           xFract="0.25165758"
                           y3="2.11812"
                           yFract="0.25096209"
                           z3="4.3033"
                           zFract="0.19366787"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05643"
                           xFract="0.24365284"
                           y3="1.95536"
                           yFract="0.23167773"
                           z3="8.52388"
                           zFract="0.38361296"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41726"
                           xFract="0.52337204"
                           y3="2.10283"
                           yFract="0.24915047"
                           z3="6.31747"
                           zFract="0.28431458"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33359"
                           xFract="0.75042536"
                           y3="8.33302"
                           yFract="0.98732464"
                           z3="6.3086"
                           zFract="0.28391539"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21079"
                           xFract="0.49890877"
                           y3="8.30362"
                           yFract="0.98384123"
                           z3="4.20339"
                           zFract="0.18917147"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38028"
                           xFract="0.51899052"
                           y3="-0.07191"
                           yFract="-0.00852014"
                           z3="8.47089"
                           zFract="0.38122817"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28661"
                           xFract="0.744859"
                           y3="2.07279"
                           yFract="0.24559123"
                           z3="4.04518"
                           zFract="0.18205131"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.83691"
                           xFract="0.81006043"
                           y3="2.26681"
                           yFract="0.26857938"
                           z3="9.20763"
                           zFract="0.41438479"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41169"
                           xFract="0.99664573"
                           y3="6.49909"
                           yFract="0.77003436"
                           z3="6.38753"
                           zFract="0.2874676"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9424"
                           xFract="0.23014218"
                           y3="4.24092"
                           yFract="0.50247867"
                           z3="6.47128"
                           zFract="0.29123672"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02605"
                           xFract="0.00308649"
                           y3="4.19027"
                           yFract="0.49647749"
                           z3="4.12543"
                           zFract="0.18566292"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.54258"
                           xFract="0.06428673"
                           y3="3.83514"
                           yFract="0.45440047"
                           z3="9.59018"
                           zFract="0.43160126"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19458"
                           xFract="0.26002133"
                           y3="6.3188"
                           yFract="0.74867299"
                           z3="4.29169"
                           zFract="0.19314536"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.96745"
                           xFract="0.23311019"
                           y3="6.40977"
                           yFract="0.75945142"
                           z3="8.48184"
                           zFract="0.38172097"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23312"
                           xFract="0.5015545"
                           y3="6.3352"
                           yFract="0.75061611"
                           z3="6.26375"
                           zFract="0.28189694"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43032"
                           xFract="0.76188626"
                           y3="4.29578"
                           yFract="0.50897867"
                           z3="6.31003"
                           zFract="0.28397975"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18937"
                           xFract="0.49637085"
                           y3="4.36908"
                           yFract="0.51766351"
                           z3="4.29778"
                           zFract="0.19341944"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13032"
                           xFract="0.48937441"
                           y3="4.28595"
                           yFract="0.50781398"
                           z3="8.51781"
                           zFract="0.38333978"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.20026"
                           xFract="0.73462796"
                           y3="6.36203"
                           yFract="0.75379502"
                           z3="4.21919"
                           zFract="0.18988254"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.51974"
                           xFract="0.77248104"
                           y3="6.04619"
                           yFract="0.71637322"
                           z3="8.43571"
                           zFract="0.37964491"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.170">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25183"
                           xFract="0.02983768"
                           y3="3.95144"
                           yFract="0.46818009"
                           z3="10.51277"
                           zFract="0.47312196"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04673"
                           xFract="-0.00553673"
                           y3="6.48613"
                           yFract="0.76849882"
                           z3="8.46337"
                           zFract="0.38088974"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33307"
                           xFract="0.75036374"
                           y3="0.01105"
                           yFract="0.00130924"
                           z3="4.24451"
                           zFract="0.19102205"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.21677"
                           xFract="0.02568365"
                           y3="2.01984"
                           yFract="0.23931754"
                           z3="8.9945"
                           zFract="0.40479298"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36172"
                           xFract="0.75375829"
                           y3="6.31186"
                           yFract="0.74785071"
                           z3="6.36694"
                           zFract="0.28654095"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20371"
                           xFract="0.49806991"
                           y3="6.33457"
                           yFract="0.75054147"
                           z3="4.23038"
                           zFract="0.19038614"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41334"
                           xFract="0.99684123"
                           y3="0.06968"
                           yFract="0.00825592"
                           z3="6.36239"
                           zFract="0.28633618"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41594"
                           xFract="0.99714929"
                           y3="2.10727"
                           yFract="0.24967654"
                           z3="4.19488"
                           zFract="0.18878848"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14589"
                           xFract="0.25425237"
                           y3="4.30531"
                           yFract="0.51010782"
                           z3="8.54364"
                           zFract="0.38450225"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08962"
                           xFract="0.24758531"
                           y3="4.2074"
                           yFract="0.49850711"
                           z3="4.27289"
                           zFract="0.19229928"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06874"
                           xFract="0.24511137"
                           y3="6.34287"
                           yFract="0.75152488"
                           z3="6.38266"
                           zFract="0.28724842"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09318"
                           xFract="0.24800711"
                           y3="0.00738"
                           yFract="0.00087441"
                           z3="4.22803"
                           zFract="0.19028038"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2610"
                           xFract="0.50485782"
                           y3="0.01665"
                           yFract="0.00197275"
                           z3="6.32134"
                           zFract="0.28448875"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35701"
                           xFract="0.75320024"
                           y3="2.12403"
                           yFract="0.25166232"
                           z3="6.36956"
                           zFract="0.28665887"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.60548"
                           xFract="0.78263981"
                           y3="4.07437"
                           yFract="0.48274526"
                           z3="8.62457"
                           zFract="0.38814446"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17545"
                           xFract="0.49472156"
                           y3="2.20183"
                           yFract="0.26088033"
                           z3="8.52217"
                           zFract="0.383536"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42459"
                           xFract="0.99817417"
                           y3="6.31051"
                           yFract="0.74769076"
                           z3="4.26454"
                           zFract="0.19192349"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39978"
                           xFract="0.9952346"
                           y3="4.17064"
                           yFract="0.49415166"
                           z3="6.4444"
                           zFract="0.290027"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21076"
                           xFract="0.49890521"
                           y3="2.11691"
                           yFract="0.25081872"
                           z3="4.22757"
                           zFract="0.19025968"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02664"
                           xFract="0.24012322"
                           y3="2.09442"
                           yFract="0.24815403"
                           z3="6.42931"
                           zFract="0.28934788"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36259"
                           xFract="0.75386137"
                           y3="4.20982"
                           yFract="0.49879384"
                           z3="4.24831"
                           zFract="0.19119307"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.4957"
                           xFract="0.53266588"
                           y3="6.30138"
                           yFract="0.746609"
                           z3="8.51089"
                           zFract="0.38302835"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27315"
                           xFract="0.50629739"
                           y3="4.1850"
                           yFract="0.49585308"
                           z3="6.45024"
                           zFract="0.29028983"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.19898"
                           xFract="0.26054265"
                           y3="-0.04934"
                           yFract="-0.00584597"
                           z3="8.44668"
                           zFract="0.38013861"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30795"
                           xFract="0.74738744"
                           y3="0.4692"
                           yFract="0.05559242"
                           z3="8.47828"
                           zFract="0.38156076"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26605"
                           xFract="0.97938981"
                           y3="2.03045"
                           yFract="0.24057464"
                           z3="6.22386"
                           zFract="0.28010171"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16144"
                           xFract="0.25609479"
                           y3="8.43353"
                           yFract="0.99923341"
                           z3="6.30717"
                           zFract="0.28385104"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00034"
                           xFract="-0.00004028"
                           y3="0.00632"
                           yFract="0.00074882"
                           z3="4.25383"
                           zFract="0.19144149"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34474"
                           xFract="0.98871327"
                           y3="0.17395"
                           yFract="0.02061019"
                           z3="8.40018"
                           zFract="0.3780459"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12331"
                           xFract="0.25157701"
                           y3="2.11761"
                           yFract="0.25090166"
                           z3="4.30324"
                           zFract="0.19366517"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05632"
                           xFract="0.24363981"
                           y3="1.9542"
                           yFract="0.23154028"
                           z3="8.52369"
                           zFract="0.38360441"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4172"
                           xFract="0.52336493"
                           y3="2.10271"
                           yFract="0.24913626"
                           z3="6.31757"
                           zFract="0.28431908"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33382"
                           xFract="0.75045261"
                           y3="8.33321"
                           yFract="0.98734716"
                           z3="6.3089"
                           zFract="0.28392889"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21061"
                           xFract="0.49888744"
                           y3="8.30452"
                           yFract="0.98394787"
                           z3="4.2040"
                           zFract="0.18919892"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3808"
                           xFract="0.51905213"
                           y3="-0.07406"
                           yFract="-0.00877488"
                           z3="8.47069"
                           zFract="0.38121917"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2873"
                           xFract="0.74494076"
                           y3="2.07248"
                           yFract="0.2455545"
                           z3="4.04542"
                           zFract="0.18206211"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.83798"
                           xFract="0.8101872"
                           y3="2.26633"
                           yFract="0.26852251"
                           z3="9.20799"
                           zFract="0.41440099"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41198"
                           xFract="0.99668009"
                           y3="6.49953"
                           yFract="0.77008649"
                           z3="6.38617"
                           zFract="0.28740639"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94196"
                           xFract="0.23009005"
                           y3="4.24056"
                           yFract="0.50243602"
                           z3="6.47163"
                           zFract="0.29125248"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02582"
                           xFract="0.00305924"
                           y3="4.19043"
                           yFract="0.49649645"
                           z3="4.12554"
                           zFract="0.18566787"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.54466"
                           xFract="0.06453318"
                           y3="3.83257"
                           yFract="0.45409597"
                           z3="9.59206"
                           zFract="0.43168587"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19506"
                           xFract="0.2600782"
                           y3="6.31924"
                           yFract="0.74872512"
                           z3="4.29191"
                           zFract="0.19315527"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.96544"
                           xFract="0.23287204"
                           y3="6.40946"
                           yFract="0.75941469"
                           z3="8.48168"
                           zFract="0.38171377"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23278"
                           xFract="0.50151422"
                           y3="6.33517"
                           yFract="0.75061256"
                           z3="6.26388"
                           zFract="0.28190279"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43048"
                           xFract="0.76190521"
                           y3="4.2960"
                           yFract="0.50900474"
                           z3="6.30963"
                           zFract="0.28396175"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18907"
                           xFract="0.49633531"
                           y3="4.36927"
                           yFract="0.51768602"
                           z3="4.29825"
                           zFract="0.19344059"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12976"
                           xFract="0.48930806"
                           y3="4.28735"
                           yFract="0.50797986"
                           z3="8.51802"
                           zFract="0.38334923"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19924"
                           xFract="0.73450711"
                           y3="6.36235"
                           yFract="0.75383294"
                           z3="4.2196"
                           zFract="0.18990099"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52105"
                           xFract="0.77263626"
                           y3="6.04629"
                           yFract="0.71638507"
                           z3="8.43572"
                           zFract="0.37964536"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.171">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25396"
                           xFract="0.03009005"
                           y3="3.94986"
                           yFract="0.46799289"
                           z3="10.51541"
                           zFract="0.47324077"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04719"
                           xFract="-0.00559123"
                           y3="6.48561"
                           yFract="0.7684372"
                           z3="8.46245"
                           zFract="0.38084833"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3339"
                           xFract="0.75046209"
                           y3="0.01007"
                           yFract="0.00119313"
                           z3="4.24502"
                           zFract="0.191045"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22122"
                           xFract="0.0262109"
                           y3="2.02077"
                           yFract="0.23942773"
                           z3="8.99516"
                           zFract="0.40482268"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36242"
                           xFract="0.75384123"
                           y3="6.31271"
                           yFract="0.74795142"
                           z3="6.36624"
                           zFract="0.28650945"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20549"
                           xFract="0.49828081"
                           y3="6.33102"
                           yFract="0.75012085"
                           z3="4.22886"
                           zFract="0.19031773"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41338"
                           xFract="0.99684597"
                           y3="0.07067"
                           yFract="0.00837322"
                           z3="6.36433"
                           zFract="0.28642349"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41624"
                           xFract="0.99718483"
                           y3="2.10697"
                           yFract="0.249641"
                           z3="4.19825"
                           zFract="0.18894014"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14504"
                           xFract="0.25415166"
                           y3="4.30717"
                           yFract="0.5103282"
                           z3="8.54415"
                           zFract="0.3845252"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08955"
                           xFract="0.24757701"
                           y3="4.20744"
                           yFract="0.49851185"
                           z3="4.27283"
                           zFract="0.19229658"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06885"
                           xFract="0.24512441"
                           y3="6.34351"
                           yFract="0.75160071"
                           z3="6.38347"
                           zFract="0.28728488"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09395"
                           xFract="0.24809834"
                           y3="0.00775"
                           yFract="0.00091825"
                           z3="4.22782"
                           zFract="0.19027093"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26183"
                           xFract="0.50495616"
                           y3="0.01677"
                           yFract="0.00198697"
                           z3="6.32228"
                           zFract="0.28453105"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35607"
                           xFract="0.75308886"
                           y3="2.12474"
                           yFract="0.25174645"
                           z3="6.36776"
                           zFract="0.28657786"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.60832"
                           xFract="0.7829763"
                           y3="4.07604"
                           yFract="0.48294313"
                           z3="8.62709"
                           zFract="0.38825788"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17576"
                           xFract="0.49475829"
                           y3="2.20469"
                           yFract="0.26121919"
                           z3="8.5222"
                           zFract="0.38353735"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42442"
                           xFract="0.99815403"
                           y3="6.30948"
                           yFract="0.74756872"
                           z3="4.26365"
                           zFract="0.19188344"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39919"
                           xFract="0.99516469"
                           y3="4.17111"
                           yFract="0.49420735"
                           z3="6.44544"
                           zFract="0.29007381"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2111"
                           xFract="0.4989455"
                           y3="2.11686"
                           yFract="0.2508128"
                           z3="4.22749"
                           zFract="0.19025608"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02645"
                           xFract="0.24010071"
                           y3="2.0945"
                           yFract="0.24816351"
                           z3="6.42929"
                           zFract="0.28934698"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36222"
                           xFract="0.75381754"
                           y3="4.21012"
                           yFract="0.49882938"
                           z3="4.24815"
                           zFract="0.19118587"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.49817"
                           xFract="0.53295853"
                           y3="6.30083"
                           yFract="0.74654384"
                           z3="8.51023"
                           zFract="0.38299865"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2733"
                           xFract="0.50631517"
                           y3="4.18546"
                           yFract="0.49590758"
                           z3="6.44982"
                           zFract="0.29027093"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.20213"
                           xFract="0.26091588"
                           y3="-0.04941"
                           yFract="-0.00585427"
                           z3="8.44943"
                           zFract="0.38026238"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3066"
                           xFract="0.74722749"
                           y3="0.47222"
                           yFract="0.05595024"
                           z3="8.47872"
                           zFract="0.38158056"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26684"
                           xFract="0.97948341"
                           y3="2.02954"
                           yFract="0.24046682"
                           z3="6.22248"
                           zFract="0.2800396"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16272"
                           xFract="0.25624645"
                           y3="8.43398"
                           yFract="0.99928673"
                           z3="6.30589"
                           zFract="0.28379343"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00012"
                           xFract="0.00001422"
                           y3="0.00698"
                           yFract="0.00082701"
                           z3="4.25396"
                           zFract="0.19144734"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34394"
                           xFract="0.98861848"
                           y3="0.1733"
                           yFract="0.02053318"
                           z3="8.3992"
                           zFract="0.3780018"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12196"
                           xFract="0.25141706"
                           y3="2.11658"
                           yFract="0.25077962"
                           z3="4.30311"
                           zFract="0.19365932"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05608"
                           xFract="0.24361137"
                           y3="1.95187"
                           yFract="0.23126422"
                           z3="8.52332"
                           zFract="0.38358776"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41707"
                           xFract="0.52334953"
                           y3="2.10246"
                           yFract="0.24910664"
                           z3="6.31777"
                           zFract="0.28432808"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33427"
                           xFract="0.75050592"
                           y3="8.33358"
                           yFract="0.987391"
                           z3="6.30949"
                           zFract="0.28395545"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21026"
                           xFract="0.49884597"
                           y3="8.3063"
                           yFract="0.98415877"
                           z3="4.20524"
                           zFract="0.18925473"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38185"
                           xFract="0.51917654"
                           y3="-0.07835"
                           yFract="-0.00928318"
                           z3="8.47029"
                           zFract="0.38120117"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28868"
                           xFract="0.74510427"
                           y3="2.07186"
                           yFract="0.24548104"
                           z3="4.04591"
                           zFract="0.18208416"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84011"
                           xFract="0.81043957"
                           y3="2.26539"
                           yFract="0.26841114"
                           z3="9.20871"
                           zFract="0.41443339"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41256"
                           xFract="0.99674882"
                           y3="6.5004"
                           yFract="0.77018957"
                           z3="6.38346"
                           zFract="0.28728443"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94107"
                           xFract="0.2299846"
                           y3="4.23985"
                           yFract="0.5023519"
                           z3="6.47234"
                           zFract="0.29128443"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02536"
                           xFract="0.00300474"
                           y3="4.19075"
                           yFract="0.49653436"
                           z3="4.12575"
                           zFract="0.18567732"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.54882"
                           xFract="0.06502607"
                           y3="3.82743"
                           yFract="0.45348697"
                           z3="9.59582"
                           zFract="0.43185509"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19603"
                           xFract="0.26019313"
                           y3="6.32013"
                           yFract="0.74883057"
                           z3="4.29236"
                           zFract="0.19317552"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.96142"
                           xFract="0.23239573"
                           y3="6.40883"
                           yFract="0.75934005"
                           z3="8.48135"
                           zFract="0.38169892"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23211"
                           xFract="0.50143483"
                           y3="6.33513"
                           yFract="0.75060782"
                           z3="6.26415"
                           zFract="0.28191494"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43079"
                           xFract="0.76194194"
                           y3="4.29644"
                           yFract="0.50905687"
                           z3="6.30883"
                           zFract="0.28392574"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18847"
                           xFract="0.49626422"
                           y3="4.36965"
                           yFract="0.51773104"
                           z3="4.2992"
                           zFract="0.19348335"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12863"
                           xFract="0.48917417"
                           y3="4.29016"
                           yFract="0.5083128"
                           z3="8.51844"
                           zFract="0.38336814"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19721"
                           xFract="0.73426659"
                           y3="6.3630"
                           yFract="0.75390995"
                           z3="4.22042"
                           zFract="0.18993789"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52368"
                           xFract="0.77294787"
                           y3="6.04648"
                           yFract="0.71640758"
                           z3="8.43573"
                           zFract="0.37964581"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.172">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25821"
                           xFract="0.0305936"
                           y3="3.94671"
                           yFract="0.46761967"
                           z3="10.52067"
                           zFract="0.4734775"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04811"
                           xFract="-0.00570024"
                           y3="6.48458"
                           yFract="0.76831517"
                           z3="8.46061"
                           zFract="0.38076553"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33557"
                           xFract="0.75065995"
                           y3="0.00811"
                           yFract="0.0009609"
                           z3="4.24605"
                           zFract="0.19109136"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23012"
                           xFract="0.0272654"
                           y3="2.02263"
                           yFract="0.2396481"
                           z3="8.9965"
                           zFract="0.40488299"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36384"
                           xFract="0.75400948"
                           y3="6.31443"
                           yFract="0.74815521"
                           z3="6.36486"
                           zFract="0.28644734"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20906"
                           xFract="0.49870379"
                           y3="6.32391"
                           yFract="0.74927844"
                           z3="4.22583"
                           zFract="0.19018137"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41345"
                           xFract="0.99685427"
                           y3="0.07267"
                           yFract="0.00861019"
                           z3="6.3682"
                           zFract="0.28659766"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41684"
                           xFract="0.99725592"
                           y3="2.10637"
                           yFract="0.24956991"
                           z3="4.20499"
                           zFract="0.18924347"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14334"
                           xFract="0.25395024"
                           y3="4.3109"
                           yFract="0.51077014"
                           z3="8.54517"
                           zFract="0.38457111"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08942"
                           xFract="0.24756161"
                           y3="4.20753"
                           yFract="0.49852251"
                           z3="4.27272"
                           zFract="0.19229163"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06905"
                           xFract="0.2451481"
                           y3="6.3448"
                           yFract="0.75175355"
                           z3="6.38507"
                           zFract="0.28735689"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09548"
                           xFract="0.24827962"
                           y3="0.00847"
                           yFract="0.00100355"
                           z3="4.22739"
                           zFract="0.19025158"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26348"
                           xFract="0.50515166"
                           y3="0.0170"
                           yFract="0.00201422"
                           z3="6.32415"
                           zFract="0.28461521"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3542"
                           xFract="0.7528673"
                           y3="2.12615"
                           yFract="0.25191351"
                           z3="6.36416"
                           zFract="0.28641584"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.61399"
                           xFract="0.7836481"
                           y3="4.07937"
                           yFract="0.48333768"
                           z3="8.63214"
                           zFract="0.38848515"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17639"
                           xFract="0.49483294"
                           y3="2.21041"
                           yFract="0.26189692"
                           z3="8.52227"
                           zFract="0.3835405"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4241"
                           xFract="0.99811611"
                           y3="6.30742"
                           yFract="0.74732464"
                           z3="4.26188"
                           zFract="0.19180378"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39803"
                           xFract="0.99502725"
                           y3="4.17207"
                           yFract="0.49432109"
                           z3="6.44753"
                           zFract="0.29016787"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21179"
                           xFract="0.49902725"
                           y3="2.11677"
                           yFract="0.25080213"
                           z3="4.22732"
                           zFract="0.19024842"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02605"
                           xFract="0.24005332"
                           y3="2.09464"
                           yFract="0.24818009"
                           z3="6.42924"
                           zFract="0.28934473"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36147"
                           xFract="0.75372867"
                           y3="4.21071"
                           yFract="0.49889929"
                           z3="4.24782"
                           zFract="0.19117102"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.50312"
                           xFract="0.53354502"
                           y3="6.29974"
                           yFract="0.74641469"
                           z3="8.5089"
                           zFract="0.38293879"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27362"
                           xFract="0.50635308"
                           y3="4.18637"
                           yFract="0.4960154"
                           z3="6.44898"
                           zFract="0.29023312"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.20842"
                           xFract="0.26166114"
                           y3="-0.04955"
                           yFract="-0.00587085"
                           z3="8.45494"
                           zFract="0.38051035"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30389"
                           xFract="0.7469064"
                           y3="0.47826"
                           yFract="0.05666588"
                           z3="8.47961"
                           zFract="0.38162061"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26843"
                           xFract="0.9796718"
                           y3="2.02772"
                           yFract="0.24025118"
                           z3="6.21971"
                           zFract="0.27991494"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16527"
                           xFract="0.25654858"
                           y3="8.43489"
                           yFract="0.99939455"
                           z3="6.30332"
                           zFract="0.28367777"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00106"
                           xFract="0.00012559"
                           y3="0.00831"
                           yFract="0.0009846"
                           z3="4.25423"
                           zFract="0.1914595"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34236"
                           xFract="0.98843128"
                           y3="0.17202"
                           yFract="0.02038152"
                           z3="8.39725"
                           zFract="0.37791404"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11927"
                           xFract="0.25109834"
                           y3="2.11453"
                           yFract="0.25053673"
                           z3="4.30286"
                           zFract="0.19364806"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05562"
                           xFract="0.24355687"
                           y3="1.94722"
                           yFract="0.23071327"
                           z3="8.52257"
                           zFract="0.38355401"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41683"
                           xFract="0.52332109"
                           y3="2.10196"
                           yFract="0.24904739"
                           z3="6.31815"
                           zFract="0.28434518"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33517"
                           xFract="0.75061256"
                           y3="8.33431"
                           yFract="0.98747749"
                           z3="6.31066"
                           zFract="0.2840081"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20956"
                           xFract="0.49876303"
                           y3="8.30988"
                           yFract="0.98458294"
                           z3="4.2077"
                           zFract="0.18936544"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38395"
                           xFract="0.51942536"
                           y3="-0.08694"
                           yFract="-0.01030095"
                           z3="8.46949"
                           zFract="0.38116517"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29144"
                           xFract="0.74543128"
                           y3="2.07063"
                           yFract="0.24533531"
                           z3="4.04688"
                           zFract="0.18212781"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84437"
                           xFract="0.81094431"
                           y3="2.26349"
                           yFract="0.26818602"
                           z3="9.21017"
                           zFract="0.4144991"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41372"
                           xFract="0.99688626"
                           y3="6.50215"
                           yFract="0.77039692"
                           z3="6.37802"
                           zFract="0.2870396"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93929"
                           xFract="0.2297737"
                           y3="4.23843"
                           yFract="0.50218365"
                           z3="6.47375"
                           zFract="0.29134788"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02444"
                           xFract="0.00289573"
                           y3="4.19139"
                           yFract="0.49661019"
                           z3="4.12616"
                           zFract="0.18569577"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.55714"
                           xFract="0.06601185"
                           y3="3.81713"
                           yFract="0.45226659"
                           z3="9.60335"
                           zFract="0.43219397"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19795"
                           xFract="0.26042062"
                           y3="6.32191"
                           yFract="0.74904147"
                           z3="4.29324"
                           zFract="0.19321512"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.95338"
                           xFract="0.23144313"
                           y3="6.40758"
                           yFract="0.75919194"
                           z3="8.4807"
                           zFract="0.38166967"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23078"
                           xFract="0.50127725"
                           y3="6.33504"
                           yFract="0.75059716"
                           z3="6.26467"
                           zFract="0.28193834"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43141"
                           xFract="0.7620154"
                           y3="4.29733"
                           yFract="0.50916232"
                           z3="6.30723"
                           zFract="0.28385374"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18727"
                           xFract="0.49612204"
                           y3="4.3704"
                           yFract="0.51781991"
                           z3="4.30109"
                           zFract="0.19356841"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12638"
                           xFract="0.48890758"
                           y3="4.29577"
                           yFract="0.50897749"
                           z3="8.51928"
                           zFract="0.38340594"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19313"
                           xFract="0.73378318"
                           y3="6.3643"
                           yFract="0.75406398"
                           z3="4.22207"
                           zFract="0.19001215"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52893"
                           xFract="0.77356991"
                           y3="6.04686"
                           yFract="0.71645261"
                           z3="8.43575"
                           zFract="0.37964671"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.173">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25552"
                           xFract="0.03027488"
                           y3="3.9487"
                           yFract="0.46785545"
                           z3="10.51734"
                           zFract="0.47332763"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04753"
                           xFract="-0.00563152"
                           y3="6.48523"
                           yFract="0.76839218"
                           z3="8.46177"
                           zFract="0.38081773"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33452"
                           xFract="0.75053555"
                           y3="0.00935"
                           yFract="0.00110782"
                           z3="4.2454"
                           zFract="0.19106211"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2245"
                           xFract="0.02659953"
                           y3="2.02145"
                           yFract="0.23950829"
                           z3="8.99565"
                           zFract="0.40484473"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36294"
                           xFract="0.75390284"
                           y3="6.31335"
                           yFract="0.74802725"
                           z3="6.36573"
                           zFract="0.2864865"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2068"
                           xFract="0.49843602"
                           y3="6.3284"
                           yFract="0.74981043"
                           z3="4.22774"
                           zFract="0.19026733"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4134"
                           xFract="0.99684834"
                           y3="0.07141"
                           yFract="0.0084609"
                           z3="6.36575"
                           zFract="0.2864874"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41646"
                           xFract="0.9972109"
                           y3="2.10675"
                           yFract="0.24961493"
                           z3="4.20073"
                           zFract="0.18905176"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14442"
                           xFract="0.2540782"
                           y3="4.30854"
                           yFract="0.51049052"
                           z3="8.54453"
                           zFract="0.3845423"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08951"
                           xFract="0.24757227"
                           y3="4.20747"
                           yFract="0.4985154"
                           z3="4.27279"
                           zFract="0.19229478"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06892"
                           xFract="0.2451327"
                           y3="6.34399"
                           yFract="0.75165758"
                           z3="6.38406"
                           zFract="0.28731143"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09451"
                           xFract="0.24816469"
                           y3="0.00802"
                           yFract="0.00095024"
                           z3="4.22766"
                           zFract="0.19026373"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26244"
                           xFract="0.50502844"
                           y3="0.01685"
                           yFract="0.00199645"
                           z3="6.32296"
                           zFract="0.28456166"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35538"
                           xFract="0.75300711"
                           y3="2.12526"
                           yFract="0.25180806"
                           z3="6.36644"
                           zFract="0.28651845"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.61041"
                           xFract="0.78322393"
                           y3="4.07726"
                           yFract="0.48308768"
                           z3="8.62895"
                           zFract="0.38834158"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17599"
                           xFract="0.49478555"
                           y3="2.2068"
                           yFract="0.26146919"
                           z3="8.52223"
                           zFract="0.3835387"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4243"
                           xFract="0.99813981"
                           y3="6.30872"
                           yFract="0.74747867"
                           z3="4.2630"
                           zFract="0.19185419"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39876"
                           xFract="0.99511374"
                           y3="4.17147"
                           yFract="0.49425"
                           z3="6.44621"
                           zFract="0.29010846"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21135"
                           xFract="0.49897512"
                           y3="2.11683"
                           yFract="0.25080924"
                           z3="4.22743"
                           zFract="0.19025338"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0263"
                           xFract="0.24008294"
                           y3="2.09455"
                           yFract="0.24816943"
                           z3="6.42927"
                           zFract="0.28934608"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36194"
                           xFract="0.75378436"
                           y3="4.21034"
                           yFract="0.49885545"
                           z3="4.24803"
                           zFract="0.19118047"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.49999"
                           xFract="0.53317417"
                           y3="6.30043"
                           yFract="0.74649645"
                           z3="8.50974"
                           zFract="0.3829766"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27342"
                           xFract="0.50632938"
                           y3="4.18579"
                           yFract="0.49594668"
                           z3="6.44951"
                           zFract="0.29025698"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.20444"
                           xFract="0.26118957"
                           y3="-0.04947"
                           yFract="-0.00586137"
                           z3="8.45146"
                           zFract="0.38035374"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3056"
                           xFract="0.747109"
                           y3="0.47445"
                           yFract="0.05621445"
                           z3="8.47905"
                           zFract="0.38159541"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26743"
                           xFract="0.97955332"
                           y3="2.02887"
                           yFract="0.24038744"
                           z3="6.22146"
                           zFract="0.2799937"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16366"
                           xFract="0.25635782"
                           y3="8.43432"
                           yFract="0.99932701"
                           z3="6.30494"
                           zFract="0.28375068"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00047"
                           xFract="0.00005569"
                           y3="0.00747"
                           yFract="0.00088507"
                           z3="4.25406"
                           zFract="0.19145185"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34336"
                           xFract="0.98854976"
                           y3="0.17283"
                           yFract="0.02047749"
                           z3="8.39848"
                           zFract="0.3779694"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12097"
                           xFract="0.25129976"
                           y3="2.11583"
                           yFract="0.25069076"
                           z3="4.30302"
                           zFract="0.19365527"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05591"
                           xFract="0.24359123"
                           y3="1.95016"
                           yFract="0.23106161"
                           z3="8.52304"
                           zFract="0.38357516"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41698"
                           xFract="0.52333886"
                           y3="2.10227"
                           yFract="0.24908412"
                           z3="6.31791"
                           zFract="0.28433438"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3346"
                           xFract="0.75054502"
                           y3="8.33385"
                           yFract="0.98742299"
                           z3="6.30992"
                           zFract="0.2839748"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2100"
                           xFract="0.49881517"
                           y3="8.30762"
                           yFract="0.98431517"
                           z3="4.20615"
                           zFract="0.18929568"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38262"
                           xFract="0.51926777"
                           y3="-0.08152"
                           yFract="-0.00965877"
                           z3="8.4700"
                           zFract="0.38118812"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2897"
                           xFract="0.74522512"
                           y3="2.07141"
                           yFract="0.24542773"
                           z3="4.04627"
                           zFract="0.18210036"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84168"
                           xFract="0.81062559"
                           y3="2.26469"
                           yFract="0.2683282"
                           z3="9.20925"
                           zFract="0.4144577"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41299"
                           xFract="0.99679976"
                           y3="6.50104"
                           yFract="0.7702654"
                           z3="6.38146"
                           zFract="0.28719442"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94041"
                           xFract="0.2299064"
                           y3="4.23933"
                           yFract="0.50229028"
                           z3="6.47286"
                           zFract="0.29130783"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02502"
                           xFract="0.00296445"
                           y3="4.19099"
                           yFract="0.4965628"
                           z3="4.1259"
                           zFract="0.18568407"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.55189"
                           xFract="0.06538981"
                           y3="3.82364"
                           yFract="0.45303791"
                           z3="9.59859"
                           zFract="0.43197975"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19674"
                           xFract="0.26027725"
                           y3="6.32079"
                           yFract="0.74890877"
                           z3="4.29268"
                           zFract="0.19318992"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.95846"
                           xFract="0.23204502"
                           y3="6.40837"
                           yFract="0.75928555"
                           z3="8.48111"
                           zFract="0.38168812"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23162"
                           xFract="0.50137678"
                           y3="6.33509"
                           yFract="0.75060308"
                           z3="6.26434"
                           zFract="0.28192349"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43102"
                           xFract="0.76196919"
                           y3="4.29677"
                           yFract="0.50909597"
                           z3="6.30824"
                           zFract="0.28389919"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18802"
                           xFract="0.4962109"
                           y3="4.36993"
                           yFract="0.51776422"
                           z3="4.2999"
                           zFract="0.19351485"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1278"
                           xFract="0.48907583"
                           y3="4.29222"
                           yFract="0.50855687"
                           z3="8.51875"
                           zFract="0.38338209"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19571"
                           xFract="0.73408886"
                           y3="6.36348"
                           yFract="0.75396682"
                           z3="4.22103"
                           zFract="0.18996535"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52561"
                           xFract="0.77317654"
                           y3="6.04662"
                           yFract="0.71642417"
                           z3="8.43574"
                           zFract="0.37964626"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.174">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25699"
                           xFract="0.03044905"
                           y3="3.94763"
                           yFract="0.46772867"
                           z3="10.51665"
                           zFract="0.47329658"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04764"
                           xFract="-0.00564455"
                           y3="6.48494"
                           yFract="0.76835782"
                           z3="8.46112"
                           zFract="0.38078848"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33497"
                           xFract="0.75058886"
                           y3="0.0090"
                           yFract="0.00106635"
                           z3="4.24573"
                           zFract="0.19107696"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22464"
                           xFract="0.02661611"
                           y3="2.0202"
                           yFract="0.23936019"
                           z3="8.99558"
                           zFract="0.40484158"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36328"
                           xFract="0.75394313"
                           y3="6.31378"
                           yFract="0.7480782"
                           z3="6.3655"
                           zFract="0.28647615"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20655"
                           xFract="0.4984064"
                           y3="6.32923"
                           yFract="0.74990877"
                           z3="4.22788"
                           zFract="0.19027363"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41377"
                           xFract="0.99689218"
                           y3="0.07157"
                           yFract="0.00847986"
                           z3="6.36639"
                           zFract="0.2865162"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41668"
                           xFract="0.99723697"
                           y3="2.10669"
                           yFract="0.24960782"
                           z3="4.20161"
                           zFract="0.18909136"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14411"
                           xFract="0.25404147"
                           y3="4.30954"
                           yFract="0.510609"
                           z3="8.54455"
                           zFract="0.3845432"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08922"
                           xFract="0.24753791"
                           y3="4.20752"
                           yFract="0.49852133"
                           z3="4.27281"
                           zFract="0.19229568"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06901"
                           xFract="0.24514336"
                           y3="6.34458"
                           yFract="0.75172749"
                           z3="6.38432"
                           zFract="0.28732313"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0950"
                           xFract="0.24822275"
                           y3="0.00801"
                           yFract="0.00094905"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26261"
                           xFract="0.50504858"
                           y3="0.01676"
                           yFract="0.00198578"
                           z3="6.32325"
                           zFract="0.28457471"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35553"
                           xFract="0.75302488"
                           y3="2.12566"
                           yFract="0.25185545"
                           z3="6.36557"
                           zFract="0.2864793"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.61171"
                           xFract="0.78337796"
                           y3="4.07804"
                           yFract="0.48318009"
                           z3="8.63071"
                           zFract="0.38842079"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17651"
                           xFract="0.49484716"
                           y3="2.20875"
                           yFract="0.26170024"
                           z3="8.52241"
                           zFract="0.3835468"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42441"
                           xFract="0.99815284"
                           y3="6.30843"
                           yFract="0.74744431"
                           z3="4.26257"
                           zFract="0.19183483"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39846"
                           xFract="0.9950782"
                           y3="4.17182"
                           yFract="0.49429147"
                           z3="6.44678"
                           zFract="0.29013411"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21149"
                           xFract="0.49899171"
                           y3="2.11662"
                           yFract="0.25078436"
                           z3="4.22744"
                           zFract="0.19025383"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02629"
                           xFract="0.24008175"
                           y3="2.09442"
                           yFract="0.24815403"
                           z3="6.42916"
                           zFract="0.28934113"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36199"
                           xFract="0.75379028"
                           y3="4.21032"
                           yFract="0.49885308"
                           z3="4.2479"
                           zFract="0.19117462"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.50125"
                           xFract="0.53332346"
                           y3="6.2999"
                           yFract="0.74643365"
                           z3="8.5093"
                           zFract="0.3829568"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27351"
                           xFract="0.50634005"
                           y3="4.18609"
                           yFract="0.49598223"
                           z3="6.4495"
                           zFract="0.29025653"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.20627"
                           xFract="0.2614064"
                           y3="-0.05017"
                           yFract="-0.00594431"
                           z3="8.45277"
                           zFract="0.38041269"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30514"
                           xFract="0.7470545"
                           y3="0.4755"
                           yFract="0.05633886"
                           z3="8.47938"
                           zFract="0.38161026"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26742"
                           xFract="0.97955213"
                           y3="2.02866"
                           yFract="0.24036256"
                           z3="6.22148"
                           zFract="0.2799946"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16431"
                           xFract="0.25643483"
                           y3="8.43464"
                           yFract="0.99936493"
                           z3="6.30501"
                           zFract="0.28375383"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00052"
                           xFract="0.00006161"
                           y3="0.00748"
                           yFract="0.00088626"
                           z3="4.25432"
                           zFract="0.19146355"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34322"
                           xFract="0.98853318"
                           y3="0.17287"
                           yFract="0.02048223"
                           z3="8.39821"
                           zFract="0.37795725"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12032"
                           xFract="0.25122275"
                           y3="2.11573"
                           yFract="0.25067891"
                           z3="4.30279"
                           zFract="0.19364491"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05678"
                           xFract="0.24369431"
                           y3="1.94917"
                           yFract="0.23094431"
                           z3="8.52279"
                           zFract="0.38356391"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41658"
                           xFract="0.52329147"
                           y3="2.10236"
                           yFract="0.24909479"
                           z3="6.31798"
                           zFract="0.28433753"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33476"
                           xFract="0.75056398"
                           y3="8.3342"
                           yFract="0.98746445"
                           z3="6.31022"
                           zFract="0.2839883"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21025"
                           xFract="0.49884479"
                           y3="8.3079"
                           yFract="0.98434834"
                           z3="4.2065"
                           zFract="0.18931143"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3829"
                           xFract="0.51930095"
                           y3="-0.08377"
                           yFract="-0.00992536"
                           z3="8.4700"
                           zFract="0.38118812"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29042"
                           xFract="0.74531043"
                           y3="2.07115"
                           yFract="0.24539692"
                           z3="4.04649"
                           zFract="0.18211026"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84313"
                           xFract="0.81079739"
                           y3="2.26493"
                           yFract="0.26835664"
                           z3="9.20903"
                           zFract="0.41444779"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41315"
                           xFract="0.99681872"
                           y3="6.5016"
                           yFract="0.77033175"
                           z3="6.37995"
                           zFract="0.28712646"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94004"
                           xFract="0.22986256"
                           y3="4.23888"
                           yFract="0.50223697"
                           z3="6.4731"
                           zFract="0.29131863"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02477"
                           xFract="0.00293483"
                           y3="4.19125"
                           yFract="0.4965936"
                           z3="4.12597"
                           zFract="0.18568722"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.55358"
                           xFract="0.06559005"
                           y3="3.8218"
                           yFract="0.45281991"
                           z3="9.60253"
                           zFract="0.43215707"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19765"
                           xFract="0.26038507"
                           y3="6.3207"
                           yFract="0.7488981"
                           z3="4.29266"
                           zFract="0.19318902"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.95637"
                           xFract="0.23179739"
                           y3="6.40835"
                           yFract="0.75928318"
                           z3="8.48101"
                           zFract="0.38168362"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23147"
                           xFract="0.501359"
                           y3="6.33485"
                           yFract="0.75057464"
                           z3="6.2644"
                           zFract="0.28192619"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43087"
                           xFract="0.76195142"
                           y3="4.2971"
                           yFract="0.50913507"
                           z3="6.30775"
                           zFract="0.28387714"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18786"
                           xFract="0.49619194"
                           y3="4.36904"
                           yFract="0.51765877"
                           z3="4.3002"
                           zFract="0.19352835"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12723"
                           xFract="0.48900829"
                           y3="4.29379"
                           yFract="0.50874289"
                           z3="8.51896"
                           zFract="0.38339154"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19477"
                           xFract="0.73397749"
                           y3="6.3635"
                           yFract="0.75396919"
                           z3="4.22125"
                           zFract="0.18997525"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52654"
                           xFract="0.77328673"
                           y3="6.04693"
                           yFract="0.7164609"
                           z3="8.43583"
                           zFract="0.37965032"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.175">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25911"
                           xFract="0.03070024"
                           y3="3.94607"
                           yFract="0.46754384"
                           z3="10.51566"
                           zFract="0.47325203"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04779"
                           xFract="-0.00566232"
                           y3="6.48452"
                           yFract="0.76830806"
                           z3="8.46017"
                           zFract="0.38074572"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33564"
                           xFract="0.75066825"
                           y3="0.0085"
                           yFract="0.00100711"
                           z3="4.24622"
                           zFract="0.19109901"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22484"
                           xFract="0.02663981"
                           y3="2.01837"
                           yFract="0.23914336"
                           z3="8.99548"
                           zFract="0.40483708"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36377"
                           xFract="0.75400118"
                           y3="6.31441"
                           yFract="0.74815284"
                           z3="6.36517"
                           zFract="0.2864613"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20619"
                           xFract="0.49836374"
                           y3="6.33045"
                           yFract="0.75005332"
                           z3="4.22807"
                           zFract="0.19028218"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41429"
                           xFract="0.99695379"
                           y3="0.0718"
                           yFract="0.00850711"
                           z3="6.36731"
                           zFract="0.28655761"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41698"
                           xFract="0.99727251"
                           y3="2.10661"
                           yFract="0.24959834"
                           z3="4.20289"
                           zFract="0.18914896"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14365"
                           xFract="0.25398697"
                           y3="4.31099"
                           yFract="0.51078081"
                           z3="8.54458"
                           zFract="0.38454455"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0888"
                           xFract="0.24748815"
                           y3="4.20759"
                           yFract="0.49852962"
                           z3="4.27283"
                           zFract="0.19229658"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06915"
                           xFract="0.24515995"
                           y3="6.34544"
                           yFract="0.75182938"
                           z3="6.3847"
                           zFract="0.28734023"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09571"
                           xFract="0.24830687"
                           y3="0.00799"
                           yFract="0.00094668"
                           z3="4.22755"
                           zFract="0.19025878"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26286"
                           xFract="0.5050782"
                           y3="0.01662"
                           yFract="0.00196919"
                           z3="6.32367"
                           zFract="0.28459361"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35575"
                           xFract="0.75305095"
                           y3="2.12624"
                           yFract="0.25192417"
                           z3="6.36432"
                           zFract="0.28642304"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.61359"
                           xFract="0.78360071"
                           y3="4.07916"
                           yFract="0.4833128"
                           z3="8.63327"
                           zFract="0.388536"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17725"
                           xFract="0.49493483"
                           y3="2.21158"
                           yFract="0.26203555"
                           z3="8.52267"
                           zFract="0.38355851"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42457"
                           xFract="0.9981718"
                           y3="6.3080"
                           yFract="0.74739336"
                           z3="4.26194"
                           zFract="0.19180648"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39803"
                           xFract="0.99502725"
                           y3="4.17235"
                           yFract="0.49435427"
                           z3="6.44761"
                           zFract="0.29017147"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21168"
                           xFract="0.49901422"
                           y3="2.11632"
                           yFract="0.25074882"
                           z3="4.22746"
                           zFract="0.19025473"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02626"
                           xFract="0.2400782"
                           y3="2.09424"
                           yFract="0.2481327"
                           z3="6.42901"
                           zFract="0.28933438"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36206"
                           xFract="0.75379858"
                           y3="4.21029"
                           yFract="0.49884953"
                           z3="4.24771"
                           zFract="0.19116607"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.50307"
                           xFract="0.5335391"
                           y3="6.29913"
                           yFract="0.74634242"
                           z3="8.50866"
                           zFract="0.38292799"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27364"
                           xFract="0.50635545"
                           y3="4.18651"
                           yFract="0.49603199"
                           z3="6.44948"
                           zFract="0.29025563"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.20892"
                           xFract="0.26172038"
                           y3="-0.0512"
                           yFract="-0.00606635"
                           z3="8.45468"
                           zFract="0.38049865"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30447"
                           xFract="0.74697512"
                           y3="0.47704"
                           yFract="0.05652133"
                           z3="8.47986"
                           zFract="0.38163186"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2674"
                           xFract="0.97954976"
                           y3="2.02836"
                           yFract="0.24032701"
                           z3="6.22151"
                           zFract="0.27999595"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16526"
                           xFract="0.25654739"
                           y3="8.4351"
                           yFract="0.99941943"
                           z3="6.30512"
                           zFract="0.28375878"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00059"
                           xFract="0.00006991"
                           y3="0.00749"
                           yFract="0.00088744"
                           z3="4.25469"
                           zFract="0.1914802"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34302"
                           xFract="0.98850948"
                           y3="0.17292"
                           yFract="0.02048815"
                           z3="8.39782"
                           zFract="0.37793969"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11938"
                           xFract="0.25111137"
                           y3="2.1156"
                           yFract="0.25066351"
                           z3="4.30246"
                           zFract="0.19363006"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05805"
                           xFract="0.24384479"
                           y3="1.94775"
                           yFract="0.23077607"
                           z3="8.52241"
                           zFract="0.3835468"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4160"
                           xFract="0.52322275"
                           y3="2.10249"
                           yFract="0.24911019"
                           z3="6.31809"
                           zFract="0.28434248"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3350"
                           xFract="0.75059242"
                           y3="8.3347"
                           yFract="0.9875237"
                           z3="6.31065"
                           zFract="0.28400765"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2106"
                           xFract="0.49888626"
                           y3="8.30829"
                           yFract="0.98439455"
                           z3="4.20702"
                           zFract="0.18933483"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3833"
                           xFract="0.51934834"
                           y3="-0.08704"
                           yFract="-0.0103128"
                           z3="8.4700"
                           zFract="0.38118812"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29147"
                           xFract="0.74543483"
                           y3="2.07077"
                           yFract="0.2453519"
                           z3="4.04682"
                           zFract="0.18212511"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84523"
                           xFract="0.81104621"
                           y3="2.26529"
                           yFract="0.26839929"
                           z3="9.2087"
                           zFract="0.41443294"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41338"
                           xFract="0.99684597"
                           y3="6.5024"
                           yFract="0.77042654"
                           z3="6.37776"
                           zFract="0.2870279"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93951"
                           xFract="0.22979976"
                           y3="4.23824"
                           yFract="0.50216114"
                           z3="6.47345"
                           zFract="0.29133438"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0244"
                           xFract="0.002891"
                           y3="4.19163"
                           yFract="0.49663863"
                           z3="4.12608"
                           zFract="0.18569217"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.55603"
                           xFract="0.06588033"
                           y3="3.81913"
                           yFract="0.45250355"
                           z3="9.60823"
                           zFract="0.43241359"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19897"
                           xFract="0.26054147"
                           y3="6.32057"
                           yFract="0.7488827"
                           z3="4.29263"
                           zFract="0.19318767"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.95334"
                           xFract="0.23143839"
                           y3="6.4083"
                           yFract="0.75927725"
                           z3="8.48086"
                           zFract="0.38167687"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23125"
                           xFract="0.50133294"
                           y3="6.33449"
                           yFract="0.75053199"
                           z3="6.2645"
                           zFract="0.28193069"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43067"
                           xFract="0.76192773"
                           y3="4.29757"
                           yFract="0.50919076"
                           z3="6.30703"
                           zFract="0.28384473"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18763"
                           xFract="0.49616469"
                           y3="4.36777"
                           yFract="0.51750829"
                           z3="4.30063"
                           zFract="0.1935477"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12641"
                           xFract="0.48891114"
                           y3="4.29607"
                           yFract="0.50901303"
                           z3="8.51927"
                           zFract="0.38340549"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19341"
                           xFract="0.73381635"
                           y3="6.36354"
                           yFract="0.75397393"
                           z3="4.22158"
                           zFract="0.1899901"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52789"
                           xFract="0.77344668"
                           y3="6.04737"
                           yFract="0.71651303"
                           z3="8.43595"
                           zFract="0.37965572"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.176">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25947"
                           xFract="0.03074289"
                           y3="3.94567"
                           yFract="0.46749645"
                           z3="10.51621"
                           zFract="0.47327678"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04783"
                           xFract="-0.00566706"
                           y3="6.48439"
                           yFract="0.76829265"
                           z3="8.45985"
                           zFract="0.38073132"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33585"
                           xFract="0.75069313"
                           y3="0.00837"
                           yFract="0.00099171"
                           z3="4.24637"
                           zFract="0.19110576"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22478"
                           xFract="0.0266327"
                           y3="2.01767"
                           yFract="0.23906043"
                           z3="8.99544"
                           zFract="0.40483528"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36391"
                           xFract="0.75401777"
                           y3="6.3146"
                           yFract="0.74817536"
                           z3="6.36508"
                           zFract="0.28645725"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20596"
                           xFract="0.49833649"
                           y3="6.33101"
                           yFract="0.75011967"
                           z3="4.22824"
                           zFract="0.19028983"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41449"
                           xFract="0.99697749"
                           y3="0.07184"
                           yFract="0.00851185"
                           z3="6.36752"
                           zFract="0.28656706"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41708"
                           xFract="0.99728436"
                           y3="2.1066"
                           yFract="0.24959716"
                           z3="4.20315"
                           zFract="0.18916067"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14345"
                           xFract="0.25396327"
                           y3="4.31143"
                           yFract="0.51083294"
                           z3="8.54462"
                           zFract="0.38454635"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08865"
                           xFract="0.24747038"
                           y3="4.20761"
                           yFract="0.49853199"
                           z3="4.27286"
                           zFract="0.19229793"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06919"
                           xFract="0.24516469"
                           y3="6.34572"
                           yFract="0.75186256"
                           z3="6.38479"
                           zFract="0.28734428"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09592"
                           xFract="0.24833175"
                           y3="0.00797"
                           yFract="0.00094431"
                           z3="4.22754"
                           zFract="0.19025833"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26291"
                           xFract="0.50508412"
                           y3="0.01656"
                           yFract="0.00196209"
                           z3="6.32379"
                           zFract="0.28459901"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35585"
                           xFract="0.7530628"
                           y3="2.12642"
                           yFract="0.2519455"
                           z3="6.36395"
                           zFract="0.28640639"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.6142"
                           xFract="0.78367299"
                           y3="4.07951"
                           yFract="0.48335427"
                           z3="8.63411"
                           zFract="0.38857381"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1775"
                           xFract="0.49496445"
                           y3="2.21255"
                           yFract="0.26215047"
                           z3="8.52275"
                           zFract="0.38356211"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42464"
                           xFract="0.99818009"
                           y3="6.3079"
                           yFract="0.74738152"
                           z3="4.26176"
                           zFract="0.19179838"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3979"
                           xFract="0.99501185"
                           y3="4.17252"
                           yFract="0.49437441"
                           z3="6.44788"
                           zFract="0.29018362"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21174"
                           xFract="0.49902133"
                           y3="2.11621"
                           yFract="0.25073578"
                           z3="4.22747"
                           zFract="0.19025518"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02627"
                           xFract="0.24007938"
                           y3="2.09416"
                           yFract="0.24812322"
                           z3="6.42896"
                           zFract="0.28933213"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3621"
                           xFract="0.75380332"
                           y3="4.21026"
                           yFract="0.49884597"
                           z3="4.24765"
                           zFract="0.19116337"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.50367"
                           xFract="0.53361019"
                           y3="6.29886"
                           yFract="0.74631043"
                           z3="8.50846"
                           zFract="0.38291899"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27368"
                           xFract="0.50636019"
                           y3="4.18665"
                           yFract="0.49604858"
                           z3="6.44949"
                           zFract="0.29025608"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.20978"
                           xFract="0.26182227"
                           y3="-0.0516"
                           yFract="-0.00611374"
                           z3="8.45525"
                           zFract="0.3805243"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30427"
                           xFract="0.74695142"
                           y3="0.47746"
                           yFract="0.05657109"
                           z3="8.4800"
                           zFract="0.38163816"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26735"
                           xFract="0.97954384"
                           y3="2.0283"
                           yFract="0.24031991"
                           z3="6.22164"
                           zFract="0.2800018"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16556"
                           xFract="0.25658294"
                           y3="8.43525"
                           yFract="0.9994372"
                           z3="6.30524"
                           zFract="0.28376418"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0006"
                           xFract="0.00007109"
                           y3="0.00744"
                           yFract="0.00088152"
                           z3="4.25483"
                           zFract="0.1914865"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34297"
                           xFract="0.98850355"
                           y3="0.17297"
                           yFract="0.02049408"
                           z3="8.39771"
                           zFract="0.37793474"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1191"
                           xFract="0.2510782"
                           y3="2.1156"
                           yFract="0.25066351"
                           z3="4.30233"
                           zFract="0.19362421"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.05855"
                           xFract="0.24390403"
                           y3="1.9473"
                           yFract="0.23072275"
                           z3="8.52229"
                           zFract="0.3835414"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4158"
                           xFract="0.52319905"
                           y3="2.10256"
                           yFract="0.24911848"
                           z3="6.31813"
                           zFract="0.28434428"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33506"
                           xFract="0.75059953"
                           y3="8.33489"
                           yFract="0.98754621"
                           z3="6.31079"
                           zFract="0.28401395"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21076"
                           xFract="0.49890521"
                           y3="8.30838"
                           yFract="0.98440521"
                           z3="4.20715"
                           zFract="0.18934068"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38342"
                           xFract="0.51936256"
                           y3="-0.08809"
                           yFract="-0.0104372"
                           z3="8.47003"
                           zFract="0.38118947"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29179"
                           xFract="0.74547275"
                           y3="2.07065"
                           yFract="0.24533768"
                           z3="4.04691"
                           zFract="0.18212916"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84588"
                           xFract="0.81112322"
                           y3="2.2655"
                           yFract="0.26842417"
                           z3="9.20854"
                           zFract="0.41442574"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41343"
                           xFract="0.9968519"
                           y3="6.50268"
                           yFract="0.77045972"
                           z3="6.37706"
                           zFract="0.2869964"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93935"
                           xFract="0.22978081"
                           y3="4.23804"
                           yFract="0.50213744"
                           z3="6.47355"
                           zFract="0.29133888"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02429"
                           xFract="0.00287796"
                           y3="4.19175"
                           yFract="0.49665284"
                           z3="4.12611"
                           zFract="0.18569352"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.55719"
                           xFract="0.06601777"
                           y3="3.81819"
                           yFract="0.45239218"
                           z3="9.60912"
                           zFract="0.43245365"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19943"
                           xFract="0.26059597"
                           y3="6.32048"
                           yFract="0.74887204"
                           z3="4.29259"
                           zFract="0.19318587"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.95237"
                           xFract="0.23132346"
                           y3="6.40833"
                           yFract="0.75928081"
                           z3="8.48081"
                           zFract="0.38167462"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2312"
                           xFract="0.50132701"
                           y3="6.33437"
                           yFract="0.75051777"
                           z3="6.26451"
                           zFract="0.28193114"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43057"
                           xFract="0.76191588"
                           y3="4.29773"
                           yFract="0.50920972"
                           z3="6.30681"
                           zFract="0.28383483"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18756"
                           xFract="0.4961564"
                           y3="4.36728"
                           yFract="0.51745024"
                           z3="4.30073"
                           zFract="0.19355221"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12615"
                           xFract="0.48888033"
                           y3="4.29681"
                           yFract="0.50910071"
                           z3="8.51937"
                           zFract="0.38340999"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19298"
                           xFract="0.7337654"
                           y3="6.36353"
                           yFract="0.75397275"
                           z3="4.22165"
                           zFract="0.18999325"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52827"
                           xFract="0.77349171"
                           y3="6.04752"
                           yFract="0.71653081"
                           z3="8.4360"
                           zFract="0.37965797"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.177">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26054"
                           xFract="0.03086967"
                           y3="3.9445"
                           yFract="0.46735782"
                           z3="10.51787"
                           zFract="0.47335149"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04794"
                           xFract="-0.00568009"
                           y3="6.48401"
                           yFract="0.76824763"
                           z3="8.45888"
                           zFract="0.38068767"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33648"
                           xFract="0.75076777"
                           y3="0.00799"
                           yFract="0.00094668"
                           z3="4.24684"
                           zFract="0.19112691"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2246"
                           xFract="0.02661137"
                           y3="2.01559"
                           yFract="0.23881398"
                           z3="8.99533"
                           zFract="0.40483033"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36432"
                           xFract="0.75406635"
                           y3="6.31514"
                           yFract="0.74823934"
                           z3="6.36481"
                           zFract="0.28644509"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20529"
                           xFract="0.49825711"
                           y3="6.33272"
                           yFract="0.75032227"
                           z3="4.22873"
                           zFract="0.19031188"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4151"
                           xFract="0.99704976"
                           y3="0.07197"
                           yFract="0.00852725"
                           z3="6.36817"
                           zFract="0.28659631"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41739"
                           xFract="0.99732109"
                           y3="2.10655"
                           yFract="0.24959123"
                           z3="4.20393"
                           zFract="0.18919577"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14283"
                           xFract="0.25388981"
                           y3="4.31275"
                           yFract="0.51098934"
                           z3="8.54472"
                           zFract="0.38455086"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0882"
                           xFract="0.24741706"
                           y3="4.20767"
                           yFract="0.4985391"
                           z3="4.27292"
                           zFract="0.19230063"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0693"
                           xFract="0.24517773"
                           y3="6.34658"
                           yFract="0.75196445"
                           z3="6.38505"
                           zFract="0.28735599"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09655"
                           xFract="0.2484064"
                           y3="0.00789"
                           yFract="0.00093483"
                           z3="4.22754"
                           zFract="0.19025833"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26307"
                           xFract="0.50510308"
                           y3="0.01638"
                           yFract="0.00194076"
                           z3="6.32414"
                           zFract="0.28461476"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35616"
                           xFract="0.75309953"
                           y3="2.12697"
                           yFract="0.25201066"
                           z3="6.36282"
                           zFract="0.28635554"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.61605"
                           xFract="0.78389218"
                           y3="4.08055"
                           yFract="0.48347749"
                           z3="8.63665"
                           zFract="0.38868812"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17827"
                           xFract="0.49505569"
                           y3="2.21546"
                           yFract="0.26249526"
                           z3="8.5230"
                           zFract="0.38357336"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42487"
                           xFract="0.99820735"
                           y3="6.30762"
                           yFract="0.74734834"
                           z3="4.2612"
                           zFract="0.19177318"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39749"
                           xFract="0.99496327"
                           y3="4.17305"
                           yFract="0.4944372"
                           z3="6.44871"
                           zFract="0.29022097"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21189"
                           xFract="0.4990391"
                           y3="2.11587"
                           yFract="0.2506955"
                           z3="4.22752"
                           zFract="0.19025743"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0263"
                           xFract="0.24008294"
                           y3="2.0939"
                           yFract="0.24809242"
                           z3="6.42881"
                           zFract="0.28932538"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36221"
                           xFract="0.75381635"
                           y3="4.21018"
                           yFract="0.49883649"
                           z3="4.24746"
                           zFract="0.19115482"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.50545"
                           xFract="0.53382109"
                           y3="6.29806"
                           yFract="0.74621564"
                           z3="8.50786"
                           zFract="0.38289199"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27382"
                           xFract="0.50637678"
                           y3="4.18706"
                           yFract="0.49609716"
                           z3="6.44952"
                           zFract="0.29025743"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.21237"
                           xFract="0.26212915"
                           y3="-0.05277"
                           yFract="-0.00625237"
                           z3="8.45697"
                           zFract="0.38060171"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30367"
                           xFract="0.74688033"
                           y3="0.47871"
                           yFract="0.05671919"
                           z3="8.48045"
                           zFract="0.38165842"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26722"
                           xFract="0.97952844"
                           y3="2.02811"
                           yFract="0.24029739"
                           z3="6.22203"
                           zFract="0.28001935"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16646"
                           xFract="0.25668957"
                           y3="8.43569"
                           yFract="0.99948934"
                           z3="6.30562"
                           zFract="0.28378128"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00064"
                           xFract="0.00007583"
                           y3="0.0073"
                           yFract="0.00086493"
                           z3="4.25525"
                           zFract="0.1915054"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34282"
                           xFract="0.98848578"
                           y3="0.17312"
                           yFract="0.02051185"
                           z3="8.3974"
                           zFract="0.37792079"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11827"
                           xFract="0.25097986"
                           y3="2.11562"
                           yFract="0.25066588"
                           z3="4.30192"
                           zFract="0.19360576"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06007"
                           xFract="0.24408412"
                           y3="1.94595"
                           yFract="0.2305628"
                           z3="8.52191"
                           zFract="0.3835243"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4152"
                           xFract="0.52312796"
                           y3="2.10277"
                           yFract="0.24914336"
                           z3="6.31826"
                           zFract="0.28435014"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33524"
                           xFract="0.75062085"
                           y3="8.33545"
                           yFract="0.98761256"
                           z3="6.31121"
                           zFract="0.28403285"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21125"
                           xFract="0.49896327"
                           y3="8.30864"
                           yFract="0.98443602"
                           z3="4.20752"
                           zFract="0.18935734"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38376"
                           xFract="0.51940284"
                           y3="-0.09124"
                           yFract="-0.01081043"
                           z3="8.47014"
                           zFract="0.38119442"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29276"
                           xFract="0.74558768"
                           y3="2.0703"
                           yFract="0.24529621"
                           z3="4.04719"
                           zFract="0.18214176"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84781"
                           xFract="0.8113519"
                           y3="2.26612"
                           yFract="0.26849763"
                           z3="9.20806"
                           zFract="0.41440414"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4136"
                           xFract="0.99687204"
                           y3="6.5035"
                           yFract="0.77055687"
                           z3="6.37497"
                           zFract="0.28690234"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93885"
                           xFract="0.22972156"
                           y3="4.23745"
                           yFract="0.50206754"
                           z3="6.47386"
                           zFract="0.29135284"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02397"
                           xFract="0.00284005"
                           y3="4.19213"
                           yFract="0.49669787"
                           z3="4.12618"
                           zFract="0.18569667"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.56067"
                           xFract="0.06643009"
                           y3="3.81538"
                           yFract="0.45205924"
                           z3="9.61179"
                           zFract="0.43257381"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20084"
                           xFract="0.26076303"
                           y3="6.32021"
                           yFract="0.74884005"
                           z3="4.29246"
                           zFract="0.19318002"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.94947"
                           xFract="0.23097986"
                           y3="6.40842"
                           yFract="0.75929147"
                           z3="8.48069"
                           zFract="0.38166922"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23105"
                           xFract="0.50130924"
                           y3="6.3340"
                           yFract="0.75047393"
                           z3="6.26455"
                           zFract="0.28193294"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43027"
                           xFract="0.76188033"
                           y3="4.29823"
                           yFract="0.50926896"
                           z3="6.30613"
                           zFract="0.28380423"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18738"
                           xFract="0.49613507"
                           y3="4.36581"
                           yFract="0.51727607"
                           z3="4.30105"
                           zFract="0.19356661"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12538"
                           xFract="0.4887891"
                           y3="4.29905"
                           yFract="0.50936611"
                           z3="8.51967"
                           zFract="0.38342349"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19169"
                           xFract="0.73361256"
                           y3="6.36349"
                           yFract="0.75396801"
                           z3="4.22189"
                           zFract="0.19000405"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.52941"
                           xFract="0.77362678"
                           y3="6.04795"
                           yFract="0.71658175"
                           z3="8.43613"
                           zFract="0.37966382"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.178">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26269"
                           xFract="0.03112441"
                           y3="3.94215"
                           yFract="0.46707938"
                           z3="10.52118"
                           zFract="0.47350045"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04817"
                           xFract="-0.00570735"
                           y3="6.48324"
                           yFract="0.7681564"
                           z3="8.45694"
                           zFract="0.38060036"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33774"
                           xFract="0.75091706"
                           y3="0.00721"
                           yFract="0.00085427"
                           z3="4.24779"
                           zFract="0.19116967"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22425"
                           xFract="0.02656991"
                           y3="2.01141"
                           yFract="0.23831872"
                           z3="8.99512"
                           zFract="0.40482088"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36516"
                           xFract="0.75416588"
                           y3="6.31624"
                           yFract="0.74836967"
                           z3="6.36427"
                           zFract="0.28642079"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20394"
                           xFract="0.49809716"
                           y3="6.33613"
                           yFract="0.7507263"
                           z3="4.22973"
                           zFract="0.19035689"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41632"
                           xFract="0.99719431"
                           y3="0.07221"
                           yFract="0.00855569"
                           z3="6.36946"
                           zFract="0.28665437"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4180"
                           xFract="0.99739336"
                           y3="2.10647"
                           yFract="0.24958175"
                           z3="4.20548"
                           zFract="0.18926553"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14159"
                           xFract="0.25374289"
                           y3="4.31538"
                           yFract="0.51130095"
                           z3="8.54491"
                           zFract="0.38455941"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08731"
                           xFract="0.24731161"
                           y3="4.20779"
                           yFract="0.49855332"
                           z3="4.27305"
                           zFract="0.19230648"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06954"
                           xFract="0.24520616"
                           y3="6.34828"
                           yFract="0.75216588"
                           z3="6.38558"
                           zFract="0.28737984"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09782"
                           xFract="0.24855687"
                           y3="0.00775"
                           yFract="0.00091825"
                           z3="4.22752"
                           zFract="0.19025743"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26339"
                           xFract="0.505141"
                           y3="0.01604"
                           yFract="0.00190047"
                           z3="6.32484"
                           zFract="0.28464626"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35678"
                           xFract="0.75317299"
                           y3="2.12808"
                           yFract="0.25214218"
                           z3="6.36055"
                           zFract="0.28625338"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.61973"
                           xFract="0.7843282"
                           y3="4.08263"
                           yFract="0.48372393"
                           z3="8.64172"
                           zFract="0.38891629"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17981"
                           xFract="0.49523815"
                           y3="2.22128"
                           yFract="0.26318483"
                           z3="8.52351"
                           zFract="0.38359631"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42531"
                           xFract="0.99825948"
                           y3="6.30706"
                           yFract="0.74728199"
                           z3="4.26008"
                           zFract="0.19172277"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39668"
                           xFract="0.9948673"
                           y3="4.17411"
                           yFract="0.4945628"
                           z3="6.45036"
                           zFract="0.29029523"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21221"
                           xFract="0.49907701"
                           y3="2.11521"
                           yFract="0.2506173"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02636"
                           xFract="0.24009005"
                           y3="2.09339"
                           yFract="0.24803199"
                           z3="6.42851"
                           zFract="0.28931188"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36243"
                           xFract="0.75384242"
                           y3="4.21002"
                           yFract="0.49881754"
                           z3="4.24709"
                           zFract="0.19113816"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.50903"
                           xFract="0.53424526"
                           y3="6.29645"
                           yFract="0.74602488"
                           z3="8.50666"
                           zFract="0.38283798"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27408"
                           xFract="0.50640758"
                           y3="4.18788"
                           yFract="0.49619431"
                           z3="6.44958"
                           zFract="0.29026013"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.21756"
                           xFract="0.26274408"
                           y3="-0.05513"
                           yFract="-0.00653199"
                           z3="8.46041"
                           zFract="0.38075653"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30247"
                           xFract="0.74673815"
                           y3="0.48121"
                           yFract="0.0570154"
                           z3="8.48134"
                           zFract="0.38169847"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26694"
                           xFract="0.97949526"
                           y3="2.02773"
                           yFract="0.24025237"
                           z3="6.2228"
                           zFract="0.28005401"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16826"
                           xFract="0.25690284"
                           y3="8.43658"
                           yFract="0.99959479"
                           z3="6.30638"
                           zFract="0.28381548"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00071"
                           xFract="0.00008412"
                           y3="0.00703"
                           yFract="0.00083294"
                           z3="4.2561"
                           zFract="0.19154365"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34253"
                           xFract="0.98845142"
                           y3="0.17342"
                           yFract="0.02054739"
                           z3="8.39677"
                           zFract="0.37789244"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1166"
                           xFract="0.25078199"
                           y3="2.11565"
                           yFract="0.25066943"
                           z3="4.30112"
                           zFract="0.19356976"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0631"
                           xFract="0.24444313"
                           y3="1.94326"
                           yFract="0.23024408"
                           z3="8.52117"
                           zFract="0.383491"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41401"
                           xFract="0.52298697"
                           y3="2.10319"
                           yFract="0.24919313"
                           z3="6.31851"
                           zFract="0.28436139"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33561"
                           xFract="0.75066469"
                           y3="8.33657"
                           yFract="0.98774526"
                           z3="6.31206"
                           zFract="0.28407111"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21222"
                           xFract="0.4990782"
                           y3="8.30917"
                           yFract="0.98449882"
                           z3="4.20827"
                           zFract="0.18939109"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38445"
                           xFract="0.5194846"
                           y3="-0.09753"
                           yFract="-0.01155569"
                           z3="8.47036"
                           zFract="0.38120432"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29468"
                           xFract="0.74581517"
                           y3="2.0696"
                           yFract="0.24521327"
                           z3="4.04776"
                           zFract="0.18216742"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85168"
                           xFract="0.81181043"
                           y3="2.26736"
                           yFract="0.26864455"
                           z3="9.20711"
                           zFract="0.41436139"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41395"
                           xFract="0.99691351"
                           y3="6.50515"
                           yFract="0.77075237"
                           z3="6.37079"
                           zFract="0.28671422"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93786"
                           xFract="0.22960427"
                           y3="4.23625"
                           yFract="0.50192536"
                           z3="6.47448"
                           zFract="0.29138074"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02333"
                           xFract="0.00276422"
                           y3="4.1929"
                           yFract="0.4967891"
                           z3="4.12634"
                           zFract="0.18570387"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.56763"
                           xFract="0.06725474"
                           y3="3.80975"
                           yFract="0.45139218"
                           z3="9.61712"
                           zFract="0.43281368"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20364"
                           xFract="0.26109479"
                           y3="6.31967"
                           yFract="0.74877607"
                           z3="4.29221"
                           zFract="0.19316877"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.94366"
                           xFract="0.23029147"
                           y3="6.4086"
                           yFract="0.7593128"
                           z3="8.48043"
                           zFract="0.38165752"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23076"
                           xFract="0.50127488"
                           y3="6.33328"
                           yFract="0.75038863"
                           z3="6.26463"
                           zFract="0.28193654"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42968"
                           xFract="0.76181043"
                           y3="4.29921"
                           yFract="0.50938507"
                           z3="6.30477"
                           zFract="0.28374302"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18701"
                           xFract="0.49609123"
                           y3="4.36287"
                           yFract="0.51692773"
                           z3="4.30168"
                           zFract="0.19359496"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12385"
                           xFract="0.48860782"
                           y3="4.30353"
                           yFract="0.50989692"
                           z3="8.52027"
                           zFract="0.3834505"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18911"
                           xFract="0.73330687"
                           y3="6.36341"
                           yFract="0.75395853"
                           z3="4.22235"
                           zFract="0.19002475"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5317"
                           xFract="0.7738981"
                           y3="6.0488"
                           yFract="0.71668246"
                           z3="8.4364"
                           zFract="0.37967597"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.179">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26697"
                           xFract="0.03163152"
                           y3="3.93744"
                           yFract="0.46652133"
                           z3="10.52782"
                           zFract="0.47379928"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04861"
                           xFract="-0.00575948"
                           y3="6.48171"
                           yFract="0.76797512"
                           z3="8.45307"
                           zFract="0.38042619"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34026"
                           xFract="0.75121564"
                           y3="0.00567"
                           yFract="0.0006718"
                           z3="4.24967"
                           zFract="0.19125428"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22355"
                           xFract="0.02648697"
                           y3="2.00306"
                           yFract="0.23732938"
                           z3="8.99469"
                           zFract="0.40480153"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36682"
                           xFract="0.75436256"
                           y3="6.31842"
                           yFract="0.74862796"
                           z3="6.36319"
                           zFract="0.28637219"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20123"
                           xFract="0.49777607"
                           y3="6.34296"
                           yFract="0.75153555"
                           z3="4.23171"
                           zFract="0.19044599"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41876"
                           xFract="0.99748341"
                           y3="0.0727"
                           yFract="0.00861374"
                           z3="6.37204"
                           zFract="0.28677048"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41922"
                           xFract="0.99753791"
                           y3="2.10631"
                           yFract="0.2495628"
                           z3="4.20859"
                           zFract="0.18940549"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13912"
                           xFract="0.25345024"
                           y3="4.32065"
                           yFract="0.51192536"
                           z3="8.54531"
                           zFract="0.38457741"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08553"
                           xFract="0.24710071"
                           y3="4.20804"
                           yFract="0.49858294"
                           z3="4.27331"
                           zFract="0.19231818"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0700"
                           xFract="0.24526066"
                           y3="6.3517"
                           yFract="0.75257109"
                           z3="6.38663"
                           zFract="0.28742709"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10034"
                           xFract="0.24885545"
                           y3="0.00746"
                           yFract="0.00088389"
                           z3="4.22748"
                           zFract="0.19025563"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26403"
                           xFract="0.50521682"
                           y3="0.01534"
                           yFract="0.00181754"
                           z3="6.32623"
                           zFract="0.28470882"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35803"
                           xFract="0.75332109"
                           y3="2.13028"
                           yFract="0.25240284"
                           z3="6.35603"
                           zFract="0.28604995"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62709"
                           xFract="0.78520024"
                           y3="4.0868"
                           yFract="0.48421801"
                           z3="8.65186"
                           zFract="0.38937264"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18289"
                           xFract="0.49560308"
                           y3="2.23291"
                           yFract="0.2645628"
                           z3="8.52452"
                           zFract="0.38364176"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4262"
                           xFract="0.99836493"
                           y3="6.30594"
                           yFract="0.74714929"
                           z3="4.25784"
                           zFract="0.19162196"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39505"
                           xFract="0.99467417"
                           y3="4.17622"
                           yFract="0.4948128"
                           z3="6.45366"
                           zFract="0.29044374"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21284"
                           xFract="0.49915166"
                           y3="2.11388"
                           yFract="0.25045972"
                           z3="4.22779"
                           zFract="0.19026958"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02648"
                           xFract="0.24010427"
                           y3="2.09237"
                           yFract="0.24791114"
                           z3="6.4279"
                           zFract="0.28928443"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36288"
                           xFract="0.75389573"
                           y3="4.20968"
                           yFract="0.49877725"
                           z3="4.24633"
                           zFract="0.19110396"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51618"
                           xFract="0.53509242"
                           y3="6.29324"
                           yFract="0.74564455"
                           z3="8.50427"
                           zFract="0.38273042"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27461"
                           xFract="0.50647038"
                           y3="4.18952"
                           yFract="0.49638863"
                           z3="6.44971"
                           zFract="0.29026598"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22793"
                           xFract="0.26397275"
                           y3="-0.05984"
                           yFract="-0.00709005"
                           z3="8.46729"
                           zFract="0.38106616"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30007"
                           xFract="0.74645379"
                           y3="0.48622"
                           yFract="0.057609"
                           z3="8.48313"
                           zFract="0.38177903"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2664"
                           xFract="0.97943128"
                           y3="2.02697"
                           yFract="0.24016232"
                           z3="6.22434"
                           zFract="0.28012331"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17187"
                           xFract="0.25733057"
                           y3="8.43836"
                           yFract="0.99980569"
                           z3="6.30791"
                           zFract="0.28388434"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00085"
                           xFract="0.00010071"
                           y3="0.00647"
                           yFract="0.00076659"
                           z3="4.25778"
                           zFract="0.19161926"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34195"
                           xFract="0.9883827"
                           y3="0.17403"
                           yFract="0.02061967"
                           z3="8.39551"
                           zFract="0.37783573"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11328"
                           xFract="0.25038863"
                           y3="2.11572"
                           yFract="0.25067773"
                           z3="4.2995"
                           zFract="0.19349685"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06916"
                           xFract="0.24516114"
                           y3="1.93788"
                           yFract="0.22960664"
                           z3="8.51968"
                           zFract="0.38342394"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41162"
                           xFract="0.52270379"
                           y3="2.10404"
                           yFract="0.24929384"
                           z3="6.31903"
                           zFract="0.28438479"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33635"
                           xFract="0.75075237"
                           y3="8.33881"
                           yFract="0.98801066"
                           z3="6.31374"
                           zFract="0.28414671"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21416"
                           xFract="0.49930806"
                           y3="8.31022"
                           yFract="0.98462322"
                           z3="4.20977"
                           zFract="0.1894586"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38584"
                           xFract="0.51964929"
                           y3="-0.11012"
                           yFract="-0.01304739"
                           z3="8.4708"
                           zFract="0.38122412"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29854"
                           xFract="0.74627251"
                           y3="2.0682"
                           yFract="0.24504739"
                           z3="4.04888"
                           zFract="0.18221782"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85941"
                           xFract="0.8127263"
                           y3="2.26986"
                           yFract="0.26894076"
                           z3="9.20519"
                           zFract="0.41427498"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41463"
                           xFract="0.99699408"
                           y3="6.50845"
                           yFract="0.77114336"
                           z3="6.36243"
                           zFract="0.28633798"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93588"
                           xFract="0.22936967"
                           y3="4.23386"
                           yFract="0.50164218"
                           z3="6.47572"
                           zFract="0.29143654"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02204"
                           xFract="0.00261137"
                           y3="4.19442"
                           yFract="0.49696919"
                           z3="4.12665"
                           zFract="0.18571782"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.58155"
                           xFract="0.06890403"
                           y3="3.7985"
                           yFract="0.45005924"
                           z3="9.62778"
                           zFract="0.43329343"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20925"
                           xFract="0.26175948"
                           y3="6.3186"
                           yFract="0.74864929"
                           z3="4.29172"
                           zFract="0.19314671"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93204"
                           xFract="0.22891469"
                           y3="6.40895"
                           yFract="0.75935427"
                           z3="8.47991"
                           zFract="0.38163411"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23018"
                           xFract="0.50120616"
                           y3="6.33182"
                           yFract="0.75021564"
                           z3="6.26478"
                           zFract="0.28194329"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4285"
                           xFract="0.76167062"
                           y3="4.30118"
                           yFract="0.50961848"
                           z3="6.30205"
                           zFract="0.28362061"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18627"
                           xFract="0.49600355"
                           y3="4.3570"
                           yFract="0.51623223"
                           z3="4.30295"
                           zFract="0.19365212"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12079"
                           xFract="0.48824526"
                           y3="4.31249"
                           yFract="0.51095853"
                           z3="8.52147"
                           zFract="0.3835045"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18395"
                           xFract="0.7326955"
                           y3="6.36324"
                           yFract="0.75393839"
                           z3="4.22328"
                           zFract="0.19006661"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53627"
                           xFract="0.77443957"
                           y3="6.05051"
                           yFract="0.71688507"
                           z3="8.43693"
                           zFract="0.37969982"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.180">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26392"
                           xFract="0.03127014"
                           y3="3.94079"
                           yFract="0.46691825"
                           z3="10.52309"
                           zFract="0.47358641"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04829"
                           xFract="-0.00572156"
                           y3="6.4828"
                           yFract="0.76810427"
                           z3="8.45583"
                           zFract="0.38055041"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33847"
                           xFract="0.75100355"
                           y3="0.00677"
                           yFract="0.00080213"
                           z3="4.24833"
                           zFract="0.19119397"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22405"
                           xFract="0.02654621"
                           y3="2.0090"
                           yFract="0.23803318"
                           z3="8.9950"
                           zFract="0.40481548"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36564"
                           xFract="0.75422275"
                           y3="6.31687"
                           yFract="0.74844431"
                           z3="6.36396"
                           zFract="0.28640684"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20316"
                           xFract="0.49800474"
                           y3="6.3381"
                           yFract="0.75095972"
                           z3="4.2303"
                           zFract="0.19038254"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41703"
                           xFract="0.99727844"
                           y3="0.07235"
                           yFract="0.00857227"
                           z3="6.3702"
                           zFract="0.28668767"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41835"
                           xFract="0.99743483"
                           y3="2.10642"
                           yFract="0.24957583"
                           z3="4.20637"
                           zFract="0.18930558"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14088"
                           xFract="0.25365877"
                           y3="4.3169"
                           yFract="0.51148104"
                           z3="8.54503"
                           zFract="0.38456481"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0868"
                           xFract="0.24725118"
                           y3="4.20787"
                           yFract="0.4985628"
                           z3="4.27313"
                           zFract="0.19231008"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06967"
                           xFract="0.24522156"
                           y3="6.34927"
                           yFract="0.75228318"
                           z3="6.38588"
                           zFract="0.28739334"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09854"
                           xFract="0.24864218"
                           y3="0.00766"
                           yFract="0.00090758"
                           z3="4.22751"
                           zFract="0.19025698"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26357"
                           xFract="0.50516232"
                           y3="0.01584"
                           yFract="0.00187678"
                           z3="6.32524"
                           zFract="0.28466427"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35714"
                           xFract="0.75321564"
                           y3="2.12871"
                           yFract="0.25221682"
                           z3="6.35925"
                           zFract="0.28619487"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62185"
                           xFract="0.78457938"
                           y3="4.08383"
                           yFract="0.48386611"
                           z3="8.64464"
                           zFract="0.3890477"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1807"
                           xFract="0.4953436"
                           y3="2.22463"
                           yFract="0.26358175"
                           z3="8.5238"
                           zFract="0.38360936"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42557"
                           xFract="0.99829028"
                           y3="6.30674"
                           yFract="0.74724408"
                           z3="4.25943"
                           zFract="0.19169352"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39621"
                           xFract="0.99481161"
                           y3="4.17472"
                           yFract="0.49463507"
                           z3="6.45131"
                           zFract="0.29033798"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21239"
                           xFract="0.49909834"
                           y3="2.11482"
                           yFract="0.25057109"
                           z3="4.22766"
                           zFract="0.19026373"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02639"
                           xFract="0.2400936"
                           y3="2.09309"
                           yFract="0.24799645"
                           z3="6.42833"
                           zFract="0.28930378"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36256"
                           xFract="0.75385782"
                           y3="4.20992"
                           yFract="0.49880569"
                           z3="4.24687"
                           zFract="0.19112826"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51109"
                           xFract="0.53448934"
                           y3="6.29552"
                           yFract="0.74591469"
                           z3="8.50597"
                           zFract="0.38280693"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27424"
                           xFract="0.50642654"
                           y3="4.18835"
                           yFract="0.49625"
                           z3="6.44962"
                           zFract="0.29026193"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22054"
                           xFract="0.26309716"
                           y3="-0.05649"
                           yFract="-0.00669313"
                           z3="8.4624"
                           zFract="0.38084608"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30178"
                           xFract="0.7466564"
                           y3="0.48265"
                           yFract="0.05718602"
                           z3="8.48186"
                           zFract="0.38172187"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26679"
                           xFract="0.97947749"
                           y3="2.02751"
                           yFract="0.2402263"
                           z3="6.22324"
                           zFract="0.28007381"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1693"
                           xFract="0.25702607"
                           y3="8.43709"
                           yFract="0.99965521"
                           z3="6.30682"
                           zFract="0.28383528"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00075"
                           xFract="0.00008886"
                           y3="0.00687"
                           yFract="0.00081398"
                           z3="4.25658"
                           zFract="0.19156526"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34236"
                           xFract="0.98843128"
                           y3="0.1736"
                           yFract="0.02056872"
                           z3="8.39641"
                           zFract="0.37787624"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11565"
                           xFract="0.25066943"
                           y3="2.11567"
                           yFract="0.2506718"
                           z3="4.30065"
                           zFract="0.1935486"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06484"
                           xFract="0.24464929"
                           y3="1.94171"
                           yFract="0.23006043"
                           z3="8.52074"
                           zFract="0.38347165"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41332"
                           xFract="0.52290521"
                           y3="2.10344"
                           yFract="0.24922275"
                           z3="6.31866"
                           zFract="0.28436814"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33582"
                           xFract="0.75068957"
                           y3="8.33721"
                           yFract="0.98782109"
                           z3="6.31254"
                           zFract="0.28409271"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21278"
                           xFract="0.49914455"
                           y3="8.30947"
                           yFract="0.98453436"
                           z3="4.2087"
                           zFract="0.18941044"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38485"
                           xFract="0.51953199"
                           y3="-0.10116"
                           yFract="-0.01198578"
                           z3="8.47049"
                           zFract="0.38121017"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29579"
                           xFract="0.74594668"
                           y3="2.0692"
                           yFract="0.24516588"
                           z3="4.04808"
                           zFract="0.18218182"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.8539"
                           xFract="0.81207346"
                           y3="2.26808"
                           yFract="0.26872986"
                           z3="9.20656"
                           zFract="0.41433663"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41414"
                           xFract="0.99693602"
                           y3="6.5061"
                           yFract="0.77086493"
                           z3="6.36838"
                           zFract="0.28660576"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93729"
                           xFract="0.22953673"
                           y3="4.23556"
                           yFract="0.5018436"
                           z3="6.47484"
                           zFract="0.29139694"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02296"
                           xFract="0.00272038"
                           y3="4.19333"
                           yFract="0.49684005"
                           z3="4.12643"
                           zFract="0.18570792"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57164"
                           xFract="0.06772986"
                           y3="3.80651"
                           yFract="0.45100829"
                           z3="9.62019"
                           zFract="0.43295185"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20526"
                           xFract="0.26128673"
                           y3="6.31936"
                           yFract="0.74873934"
                           z3="4.29207"
                           zFract="0.19316247"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.94031"
                           xFract="0.22989455"
                           y3="6.4087"
                           yFract="0.75932464"
                           z3="8.48028"
                           zFract="0.38165077"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23059"
                           xFract="0.50125474"
                           y3="6.33286"
                           yFract="0.75033886"
                           z3="6.26467"
                           zFract="0.28193834"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42934"
                           xFract="0.76177014"
                           y3="4.29978"
                           yFract="0.50945261"
                           z3="6.30399"
                           zFract="0.28370792"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18679"
                           xFract="0.49606517"
                           y3="4.36118"
                           yFract="0.51672749"
                           z3="4.30205"
                           zFract="0.19361161"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12297"
                           xFract="0.48850355"
                           y3="4.30611"
                           yFract="0.51020261"
                           z3="8.52061"
                           zFract="0.3834658"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18763"
                           xFract="0.73313152"
                           y3="6.36336"
                           yFract="0.75395261"
                           z3="4.22262"
                           zFract="0.1900369"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53301"
                           xFract="0.77405332"
                           y3="6.04929"
                           yFract="0.71674052"
                           z3="8.43655"
                           zFract="0.37968272"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.181">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26326"
                           xFract="0.03119194"
                           y3="3.94068"
                           yFract="0.46690521"
                           z3="10.52633"
                           zFract="0.47373222"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0484"
                           xFract="-0.0057346"
                           y3="6.48277"
                           yFract="0.76810071"
                           z3="8.45545"
                           zFract="0.3805333"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33869"
                           xFract="0.75102962"
                           y3="0.0068"
                           yFract="0.00080569"
                           z3="4.24843"
                           zFract="0.19119847"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22528"
                           xFract="0.02669194"
                           y3="2.00863"
                           yFract="0.23798934"
                           z3="8.99506"
                           zFract="0.40481818"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36563"
                           xFract="0.75422156"
                           y3="6.31683"
                           yFract="0.74843957"
                           z3="6.36389"
                           zFract="0.28640369"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20309"
                           xFract="0.49799645"
                           y3="6.33761"
                           yFract="0.75090166"
                           z3="4.2306"
                           zFract="0.19039604"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41725"
                           xFract="0.9973045"
                           y3="0.07244"
                           yFract="0.00858294"
                           z3="6.36995"
                           zFract="0.28667642"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41845"
                           xFract="0.99744668"
                           y3="2.10644"
                           yFract="0.2495782"
                           z3="4.20593"
                           zFract="0.18928578"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14045"
                           xFract="0.25360782"
                           y3="4.3172"
                           yFract="0.51151659"
                           z3="8.54518"
                           zFract="0.38457156"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0868"
                           xFract="0.24725118"
                           y3="4.20782"
                           yFract="0.49855687"
                           z3="4.27324"
                           zFract="0.19231503"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06962"
                           xFract="0.24521564"
                           y3="6.34939"
                           yFract="0.75229739"
                           z3="6.38576"
                           zFract="0.28738794"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09846"
                           xFract="0.2486327"
                           y3="0.00769"
                           yFract="0.00091114"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26364"
                           xFract="0.50517062"
                           y3="0.01585"
                           yFract="0.00187796"
                           z3="6.32538"
                           zFract="0.28467057"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35691"
                           xFract="0.75318839"
                           y3="2.12885"
                           yFract="0.25223341"
                           z3="6.35911"
                           zFract="0.28618857"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62266"
                           xFract="0.78467536"
                           y3="4.08426"
                           yFract="0.48391706"
                           z3="8.64531"
                           zFract="0.38907786"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18084"
                           xFract="0.49536019"
                           y3="2.22587"
                           yFract="0.26372867"
                           z3="8.52375"
                           zFract="0.38360711"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42569"
                           xFract="0.9983045"
                           y3="6.30688"
                           yFract="0.74726066"
                           z3="4.2593"
                           zFract="0.19168767"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39606"
                           xFract="0.99479384"
                           y3="4.17488"
                           yFract="0.49465403"
                           z3="6.45165"
                           zFract="0.29035329"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21236"
                           xFract="0.49909479"
                           y3="2.11479"
                           yFract="0.25056754"
                           z3="4.22772"
                           zFract="0.19026643"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02651"
                           xFract="0.24010782"
                           y3="2.09291"
                           yFract="0.24797512"
                           z3="6.4284"
                           zFract="0.28930693"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36248"
                           xFract="0.75384834"
                           y3="4.20989"
                           yFract="0.49880213"
                           z3="4.24679"
                           zFract="0.19112466"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51184"
                           xFract="0.5345782"
                           y3="6.29525"
                           yFract="0.7458827"
                           z3="8.50593"
                           zFract="0.38280513"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2743"
                           xFract="0.50643365"
                           y3="4.18842"
                           yFract="0.49625829"
                           z3="6.44959"
                           zFract="0.29026058"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22141"
                           xFract="0.26320024"
                           y3="-0.05688"
                           yFract="-0.00673934"
                           z3="8.46277"
                           zFract="0.38086274"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30148"
                           xFract="0.74662085"
                           y3="0.48271"
                           yFract="0.05719313"
                           z3="8.48187"
                           zFract="0.38172232"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2668"
                           xFract="0.97947867"
                           y3="2.0276"
                           yFract="0.24023697"
                           z3="6.22382"
                           zFract="0.28009991"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16949"
                           xFract="0.25704858"
                           y3="8.43714"
                           yFract="0.99966114"
                           z3="6.30714"
                           zFract="0.28384968"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00085"
                           xFract="0.00010071"
                           y3="0.00661"
                           yFract="0.00078318"
                           z3="4.25676"
                           zFract="0.19157336"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34214"
                           xFract="0.98840521"
                           y3="0.17354"
                           yFract="0.02056161"
                           z3="8.39632"
                           zFract="0.37787219"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11557"
                           xFract="0.25065995"
                           y3="2.11578"
                           yFract="0.25068483"
                           z3="4.3005"
                           zFract="0.19354185"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06532"
                           xFract="0.24470616"
                           y3="1.94109"
                           yFract="0.22998697"
                           z3="8.52067"
                           zFract="0.3834685"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4134"
                           xFract="0.52291469"
                           y3="2.10354"
                           yFract="0.2492346"
                           z3="6.31887"
                           zFract="0.28437759"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33579"
                           xFract="0.75068602"
                           y3="8.33743"
                           yFract="0.98784716"
                           z3="6.31266"
                           zFract="0.28409811"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21296"
                           xFract="0.49916588"
                           y3="8.30983"
                           yFract="0.98457701"
                           z3="4.20862"
                           zFract="0.18940684"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38503"
                           xFract="0.51955332"
                           y3="-0.10207"
                           yFract="-0.0120936"
                           z3="8.47073"
                           zFract="0.38122097"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29602"
                           xFract="0.74597393"
                           y3="2.06913"
                           yFract="0.24515758"
                           z3="4.04804"
                           zFract="0.18218002"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85366"
                           xFract="0.81204502"
                           y3="2.26851"
                           yFract="0.26878081"
                           z3="9.20645"
                           zFract="0.41433168"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41419"
                           xFract="0.99694194"
                           y3="6.50638"
                           yFract="0.7708981"
                           z3="6.36791"
                           zFract="0.28658461"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93713"
                           xFract="0.22951777"
                           y3="4.23558"
                           yFract="0.50184597"
                           z3="6.4749"
                           zFract="0.29139964"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02298"
                           xFract="0.00272275"
                           y3="4.19345"
                           yFract="0.49685427"
                           z3="4.1264"
                           zFract="0.18570657"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57385"
                           xFract="0.06799171"
                           y3="3.80496"
                           yFract="0.45082464"
                           z3="9.61817"
                           zFract="0.43286094"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20564"
                           xFract="0.26133175"
                           y3="6.31939"
                           yFract="0.74874289"
                           z3="4.29202"
                           zFract="0.19316022"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93958"
                           xFract="0.22980806"
                           y3="6.4089"
                           yFract="0.75934834"
                           z3="8.48019"
                           zFract="0.38164671"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23058"
                           xFract="0.50125355"
                           y3="6.33292"
                           yFract="0.75034597"
                           z3="6.26458"
                           zFract="0.28193429"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42924"
                           xFract="0.76175829"
                           y3="4.29997"
                           yFract="0.50947512"
                           z3="6.30392"
                           zFract="0.28370477"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18675"
                           xFract="0.49606043"
                           y3="4.36104"
                           yFract="0.5167109"
                           z3="4.30196"
                           zFract="0.19360756"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12282"
                           xFract="0.48848578"
                           y3="4.3068"
                           yFract="0.51028436"
                           z3="8.52073"
                           zFract="0.3834712"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18719"
                           xFract="0.73307938"
                           y3="6.3634"
                           yFract="0.75395735"
                           z3="4.22252"
                           zFract="0.1900324"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53326"
                           xFract="0.77408294"
                           y3="6.0492"
                           yFract="0.71672986"
                           z3="8.43658"
                           zFract="0.37968407"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.182">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26265"
                           xFract="0.03111967"
                           y3="3.94058"
                           yFract="0.46689336"
                           z3="10.52933"
                           zFract="0.47386724"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0485"
                           xFract="-0.00574645"
                           y3="6.48275"
                           yFract="0.76809834"
                           z3="8.45509"
                           zFract="0.3805171"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3389"
                           xFract="0.7510545"
                           y3="0.00683"
                           yFract="0.00080924"
                           z3="4.24852"
                           zFract="0.19120252"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22643"
                           xFract="0.0268282"
                           y3="2.00829"
                           yFract="0.23794905"
                           z3="8.99512"
                           zFract="0.40482088"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36562"
                           xFract="0.75422038"
                           y3="6.31679"
                           yFract="0.74843483"
                           z3="6.36381"
                           zFract="0.28640009"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20303"
                           xFract="0.49798934"
                           y3="6.33716"
                           yFract="0.75084834"
                           z3="4.23089"
                           zFract="0.19040909"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41746"
                           xFract="0.99732938"
                           y3="0.07253"
                           yFract="0.0085936"
                           z3="6.36972"
                           zFract="0.28666607"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41855"
                           xFract="0.99745853"
                           y3="2.10645"
                           yFract="0.24957938"
                           z3="4.20551"
                           zFract="0.18926688"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14005"
                           xFract="0.25356043"
                           y3="4.31747"
                           yFract="0.51154858"
                           z3="8.54533"
                           zFract="0.38457831"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0868"
                           xFract="0.24725118"
                           y3="4.20777"
                           yFract="0.49855095"
                           z3="4.27334"
                           zFract="0.19231953"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06958"
                           xFract="0.2452109"
                           y3="6.34949"
                           yFract="0.75230924"
                           z3="6.38564"
                           zFract="0.28738254"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09839"
                           xFract="0.24862441"
                           y3="0.00771"
                           yFract="0.00091351"
                           z3="4.22771"
                           zFract="0.19026598"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26371"
                           xFract="0.50517891"
                           y3="0.01587"
                           yFract="0.00188033"
                           z3="6.32552"
                           zFract="0.28467687"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35669"
                           xFract="0.75316232"
                           y3="2.12897"
                           yFract="0.25224763"
                           z3="6.35899"
                           zFract="0.28618317"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62342"
                           xFract="0.7847654"
                           y3="4.08465"
                           yFract="0.48396327"
                           z3="8.64594"
                           zFract="0.38910621"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18097"
                           xFract="0.49537559"
                           y3="2.22702"
                           yFract="0.26386493"
                           z3="8.5237"
                           zFract="0.38360486"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4258"
                           xFract="0.99831754"
                           y3="6.3070"
                           yFract="0.74727488"
                           z3="4.25919"
                           zFract="0.19168272"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39593"
                           xFract="0.99477844"
                           y3="4.17503"
                           yFract="0.4946718"
                           z3="6.45196"
                           zFract="0.29036724"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21232"
                           xFract="0.49909005"
                           y3="2.11476"
                           yFract="0.25056398"
                           z3="4.22778"
                           zFract="0.19026913"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02662"
                           xFract="0.24012085"
                           y3="2.09274"
                           yFract="0.24795498"
                           z3="6.42845"
                           zFract="0.28930918"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3624"
                           xFract="0.75383886"
                           y3="4.20987"
                           yFract="0.49879976"
                           z3="4.24672"
                           zFract="0.19112151"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51253"
                           xFract="0.53465995"
                           y3="6.2950"
                           yFract="0.74585308"
                           z3="8.5059"
                           zFract="0.38280378"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27436"
                           xFract="0.50644076"
                           y3="4.18848"
                           yFract="0.4962654"
                           z3="6.44956"
                           zFract="0.29025923"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22222"
                           xFract="0.26329621"
                           y3="-0.05724"
                           yFract="-0.00678199"
                           z3="8.46313"
                           zFract="0.38087894"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30119"
                           xFract="0.74658649"
                           y3="0.48277"
                           yFract="0.05720024"
                           z3="8.48189"
                           zFract="0.38172322"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26682"
                           xFract="0.97948104"
                           y3="2.02769"
                           yFract="0.24024763"
                           z3="6.22435"
                           zFract="0.28012376"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16966"
                           xFract="0.25706872"
                           y3="8.43717"
                           yFract="0.99966469"
                           z3="6.30742"
                           zFract="0.28386229"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00094"
                           xFract="0.00011137"
                           y3="0.00637"
                           yFract="0.00075474"
                           z3="4.25693"
                           zFract="0.19158101"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34194"
                           xFract="0.98838152"
                           y3="0.1735"
                           yFract="0.02055687"
                           z3="8.39624"
                           zFract="0.37786859"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1155"
                           xFract="0.25065166"
                           y3="2.11587"
                           yFract="0.2506955"
                           z3="4.30035"
                           zFract="0.1935351"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06576"
                           xFract="0.24475829"
                           y3="1.94051"
                           yFract="0.22991825"
                           z3="8.52061"
                           zFract="0.3834658"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41346"
                           xFract="0.5229218"
                           y3="2.10364"
                           yFract="0.24924645"
                           z3="6.31907"
                           zFract="0.28438659"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33575"
                           xFract="0.75068128"
                           y3="8.33764"
                           yFract="0.98787204"
                           z3="6.31278"
                           zFract="0.28410351"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21313"
                           xFract="0.49918602"
                           y3="8.31017"
                           yFract="0.9846173"
                           z3="4.20854"
                           zFract="0.18940324"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3852"
                           xFract="0.51957346"
                           y3="-0.10291"
                           yFract="-0.01219313"
                           z3="8.47096"
                           zFract="0.38123132"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29623"
                           xFract="0.74599882"
                           y3="2.06907"
                           yFract="0.24515047"
                           z3="4.04801"
                           zFract="0.18217867"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85343"
                           xFract="0.81201777"
                           y3="2.2689"
                           yFract="0.26882701"
                           z3="9.20635"
                           zFract="0.41432718"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41424"
                           xFract="0.99694787"
                           y3="6.50663"
                           yFract="0.77092773"
                           z3="6.36748"
                           zFract="0.28656526"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93698"
                           xFract="0.2295"
                           y3="4.23559"
                           yFract="0.50184716"
                           z3="6.47496"
                           zFract="0.29140234"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0230"
                           xFract="0.00272512"
                           y3="4.19356"
                           yFract="0.4968673"
                           z3="4.12637"
                           zFract="0.18570522"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57591"
                           xFract="0.06823578"
                           y3="3.80352"
                           yFract="0.45065403"
                           z3="9.61631"
                           zFract="0.43277723"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2060"
                           xFract="0.26137441"
                           y3="6.31942"
                           yFract="0.74874645"
                           z3="4.29196"
                           zFract="0.19315752"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.9389"
                           xFract="0.22972749"
                           y3="6.40908"
                           yFract="0.75936967"
                           z3="8.4801"
                           zFract="0.38164266"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23057"
                           xFract="0.50125237"
                           y3="6.33299"
                           yFract="0.75035427"
                           z3="6.2645"
                           zFract="0.28193069"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42914"
                           xFract="0.76174645"
                           y3="4.30015"
                           yFract="0.50949645"
                           z3="6.30385"
                           zFract="0.28370162"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1867"
                           xFract="0.4960545"
                           y3="4.3609"
                           yFract="0.51669431"
                           z3="4.30188"
                           zFract="0.19360396"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12268"
                           xFract="0.48846919"
                           y3="4.30744"
                           yFract="0.51036019"
                           z3="8.52084"
                           zFract="0.38347615"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18678"
                           xFract="0.73303081"
                           y3="6.36345"
                           yFract="0.75396327"
                           z3="4.22242"
                           zFract="0.1900279"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53348"
                           xFract="0.774109"
                           y3="6.04911"
                           yFract="0.71671919"
                           z3="8.4366"
                           zFract="0.37968497"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.183">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26288"
                           xFract="0.03114692"
                           y3="3.94062"
                           yFract="0.4668981"
                           z3="10.52823"
                           zFract="0.47381773"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04846"
                           xFract="-0.00574171"
                           y3="6.48276"
                           yFract="0.76809953"
                           z3="8.45522"
                           zFract="0.38052295"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33882"
                           xFract="0.75104502"
                           y3="0.00682"
                           yFract="0.00080806"
                           z3="4.24849"
                           zFract="0.19120117"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22601"
                           xFract="0.02677844"
                           y3="2.00842"
                           yFract="0.23796445"
                           z3="8.99509"
                           zFract="0.40481953"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36562"
                           xFract="0.75422038"
                           y3="6.31681"
                           yFract="0.7484372"
                           z3="6.36384"
                           zFract="0.28640144"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20305"
                           xFract="0.49799171"
                           y3="6.33732"
                           yFract="0.7508673"
                           z3="4.23078"
                           zFract="0.19040414"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41739"
                           xFract="0.99732109"
                           y3="0.0725"
                           yFract="0.00859005"
                           z3="6.36981"
                           zFract="0.28667012"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41851"
                           xFract="0.99745379"
                           y3="2.10644"
                           yFract="0.2495782"
                           z3="4.20566"
                           zFract="0.18927363"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14019"
                           xFract="0.25357701"
                           y3="4.31737"
                           yFract="0.51153673"
                           z3="8.54527"
                           zFract="0.38457561"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0868"
                           xFract="0.24725118"
                           y3="4.20779"
                           yFract="0.49855332"
                           z3="4.2733"
                           zFract="0.19231773"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0696"
                           xFract="0.24521327"
                           y3="6.34945"
                           yFract="0.7523045"
                           z3="6.38568"
                           zFract="0.28738434"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09842"
                           xFract="0.24862796"
                           y3="0.0077"
                           yFract="0.00091232"
                           z3="4.22767"
                           zFract="0.19026418"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26369"
                           xFract="0.50517654"
                           y3="0.01587"
                           yFract="0.00188033"
                           z3="6.32547"
                           zFract="0.28467462"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35677"
                           xFract="0.7531718"
                           y3="2.12893"
                           yFract="0.25224289"
                           z3="6.35903"
                           zFract="0.28618497"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62314"
                           xFract="0.78473223"
                           y3="4.08451"
                           yFract="0.48394668"
                           z3="8.64571"
                           zFract="0.38909586"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18093"
                           xFract="0.49537085"
                           y3="2.2266"
                           yFract="0.26381517"
                           z3="8.52372"
                           zFract="0.38360576"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42576"
                           xFract="0.9983128"
                           y3="6.30696"
                           yFract="0.74727014"
                           z3="4.25923"
                           zFract="0.19168452"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39598"
                           xFract="0.99478436"
                           y3="4.17498"
                           yFract="0.49466588"
                           z3="6.45185"
                           zFract="0.29036229"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21234"
                           xFract="0.49909242"
                           y3="2.11477"
                           yFract="0.25056517"
                           z3="4.22776"
                           zFract="0.19026823"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02658"
                           xFract="0.24011611"
                           y3="2.0928"
                           yFract="0.24796209"
                           z3="6.42843"
                           zFract="0.28930828"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36243"
                           xFract="0.75384242"
                           y3="4.20988"
                           yFract="0.49880095"
                           z3="4.24675"
                           zFract="0.19112286"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51228"
                           xFract="0.53463033"
                           y3="6.29509"
                           yFract="0.74586374"
                           z3="8.50591"
                           zFract="0.38280423"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27434"
                           xFract="0.50643839"
                           y3="4.18846"
                           yFract="0.49626303"
                           z3="6.44957"
                           zFract="0.29025968"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22192"
                           xFract="0.26326066"
                           y3="-0.05711"
                           yFract="-0.00676659"
                           z3="8.4630"
                           zFract="0.38087309"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3013"
                           xFract="0.74659953"
                           y3="0.48275"
                           yFract="0.05719787"
                           z3="8.48188"
                           zFract="0.38172277"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26681"
                           xFract="0.97947986"
                           y3="2.02765"
                           yFract="0.24024289"
                           z3="6.22416"
                           zFract="0.28011521"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1696"
                           xFract="0.25706161"
                           y3="8.43716"
                           yFract="0.99966351"
                           z3="6.30732"
                           zFract="0.28385779"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0009"
                           xFract="0.00010664"
                           y3="0.00646"
                           yFract="0.0007654"
                           z3="4.25687"
                           zFract="0.19157831"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34201"
                           xFract="0.98838981"
                           y3="0.17351"
                           yFract="0.02055806"
                           z3="8.39627"
                           zFract="0.37786994"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11553"
                           xFract="0.25065521"
                           y3="2.11584"
                           yFract="0.25069194"
                           z3="4.3004"
                           zFract="0.19353735"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0656"
                           xFract="0.24473934"
                           y3="1.94072"
                           yFract="0.22994313"
                           z3="8.52063"
                           zFract="0.3834667"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41344"
                           xFract="0.52291943"
                           y3="2.1036"
                           yFract="0.24924171"
                           z3="6.3190"
                           zFract="0.28438344"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33577"
                           xFract="0.75068365"
                           y3="8.33756"
                           yFract="0.98786256"
                           z3="6.31273"
                           zFract="0.28410126"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21307"
                           xFract="0.49917891"
                           y3="8.31005"
                           yFract="0.98460308"
                           z3="4.20857"
                           zFract="0.18940459"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38514"
                           xFract="0.51956635"
                           y3="-0.1026"
                           yFract="-0.0121564"
                           z3="8.47087"
                           zFract="0.38122727"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29615"
                           xFract="0.74598934"
                           y3="2.0691"
                           yFract="0.24515403"
                           z3="4.04802"
                           zFract="0.18217912"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85351"
                           xFract="0.81202725"
                           y3="2.26876"
                           yFract="0.26881043"
                           z3="9.20638"
                           zFract="0.41432853"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41422"
                           xFract="0.9969455"
                           y3="6.50654"
                           yFract="0.77091706"
                           z3="6.36764"
                           zFract="0.28657246"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93703"
                           xFract="0.22950592"
                           y3="4.23558"
                           yFract="0.50184597"
                           z3="6.47494"
                           zFract="0.29140144"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0230"
                           xFract="0.00272512"
                           y3="4.19352"
                           yFract="0.49686256"
                           z3="4.12638"
                           zFract="0.18570567"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57515"
                           xFract="0.06814573"
                           y3="3.80405"
                           yFract="0.45071682"
                           z3="9.61699"
                           zFract="0.43280783"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20587"
                           xFract="0.261359"
                           y3="6.31941"
                           yFract="0.74874526"
                           z3="4.29198"
                           zFract="0.19315842"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93915"
                           xFract="0.22975711"
                           y3="6.40901"
                           yFract="0.75936137"
                           z3="8.48013"
                           zFract="0.38164401"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23058"
                           xFract="0.50125355"
                           y3="6.33296"
                           yFract="0.75035071"
                           z3="6.26453"
                           zFract="0.28193204"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42918"
                           xFract="0.76175118"
                           y3="4.30008"
                           yFract="0.50948815"
                           z3="6.30388"
                           zFract="0.28370297"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18672"
                           xFract="0.49605687"
                           y3="4.36095"
                           yFract="0.51670024"
                           z3="4.30191"
                           zFract="0.19360531"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12273"
                           xFract="0.48847512"
                           y3="4.3072"
                           yFract="0.51033175"
                           z3="8.5208"
                           zFract="0.38347435"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18693"
                           xFract="0.73304858"
                           y3="6.36343"
                           yFract="0.7539609"
                           z3="4.22246"
                           zFract="0.1900297"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5334"
                           xFract="0.77409953"
                           y3="6.04914"
                           yFract="0.71672275"
                           z3="8.43659"
                           zFract="0.37968452"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.184">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26299"
                           xFract="0.03115995"
                           y3="3.94021"
                           yFract="0.46684953"
                           z3="10.5284"
                           zFract="0.47382538"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04856"
                           xFract="-0.00575355"
                           y3="6.48289"
                           yFract="0.76811493"
                           z3="8.45496"
                           zFract="0.38051125"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33892"
                           xFract="0.75105687"
                           y3="0.00698"
                           yFract="0.00082701"
                           z3="4.24849"
                           zFract="0.19120117"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22759"
                           xFract="0.02696564"
                           y3="2.00834"
                           yFract="0.23795498"
                           z3="8.99517"
                           zFract="0.40482313"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36549"
                           xFract="0.75420498"
                           y3="6.31661"
                           yFract="0.74841351"
                           z3="6.3638"
                           zFract="0.28639964"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20318"
                           xFract="0.49800711"
                           y3="6.33625"
                           yFract="0.75074052"
                           z3="4.2310"
                           zFract="0.19041404"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41751"
                           xFract="0.99733531"
                           y3="0.07262"
                           yFract="0.00860427"
                           z3="6.36932"
                           zFract="0.28664806"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41855"
                           xFract="0.99745853"
                           y3="2.10649"
                           yFract="0.24958412"
                           z3="4.2049"
                           zFract="0.18923942"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14003"
                           xFract="0.25355806"
                           y3="4.31753"
                           yFract="0.51155569"
                           z3="8.54529"
                           zFract="0.38457651"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08692"
                           xFract="0.2472654"
                           y3="4.20769"
                           yFract="0.49854147"
                           z3="4.27346"
                           zFract="0.19232493"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0695"
                           xFract="0.24520142"
                           y3="6.34936"
                           yFract="0.75229384"
                           z3="6.38545"
                           zFract="0.28737399"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09816"
                           xFract="0.24859716"
                           y3="0.00776"
                           yFract="0.00091943"
                           z3="4.22783"
                           zFract="0.19027138"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26375"
                           xFract="0.50518365"
                           y3="0.01594"
                           yFract="0.00188863"
                           z3="6.32557"
                           zFract="0.28467912"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3564"
                           xFract="0.75312796"
                           y3="2.12896"
                           yFract="0.25224645"
                           z3="6.35919"
                           zFract="0.28619217"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62377"
                           xFract="0.78480687"
                           y3="4.08483"
                           yFract="0.4839846"
                           z3="8.64594"
                           zFract="0.38910621"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18091"
                           xFract="0.49536848"
                           y3="2.22754"
                           yFract="0.26392654"
                           z3="8.52358"
                           zFract="0.38359946"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42585"
                           xFract="0.99832346"
                           y3="6.30722"
                           yFract="0.74730095"
                           z3="4.2592"
                           zFract="0.19168317"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39588"
                           xFract="0.99477251"
                           y3="4.17505"
                           yFract="0.49467417"
                           z3="6.45209"
                           zFract="0.29037309"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21223"
                           xFract="0.49907938"
                           y3="2.11481"
                           yFract="0.25056991"
                           z3="4.22784"
                           zFract="0.19027183"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02674"
                           xFract="0.24013507"
                           y3="2.09263"
                           yFract="0.24794194"
                           z3="6.42857"
                           zFract="0.28931458"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3623"
                           xFract="0.75382701"
                           y3="4.20987"
                           yFract="0.49879976"
                           z3="4.24671"
                           zFract="0.19112106"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51282"
                           xFract="0.53469431"
                           y3="6.29494"
                           yFract="0.74584597"
                           z3="8.50605"
                           zFract="0.38281053"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27439"
                           xFract="0.50644431"
                           y3="4.18843"
                           yFract="0.49625948"
                           z3="6.44954"
                           zFract="0.29025833"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22241"
                           xFract="0.26331872"
                           y3="-0.05733"
                           yFract="-0.00679265"
                           z3="8.46304"
                           zFract="0.38087489"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30109"
                           xFract="0.74657464"
                           y3="0.48252"
                           yFract="0.05717062"
                           z3="8.48179"
                           zFract="0.38171872"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26686"
                           xFract="0.97948578"
                           y3="2.02783"
                           yFract="0.24026422"
                           z3="6.22477"
                           zFract="0.28014266"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16961"
                           xFract="0.2570628"
                           y3="8.43706"
                           yFract="0.99965166"
                           z3="6.30759"
                           zFract="0.28386994"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00105"
                           xFract="0.00012441"
                           y3="0.00615"
                           yFract="0.00072867"
                           z3="4.25698"
                           zFract="0.19158326"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34173"
                           xFract="0.98835664"
                           y3="0.1734"
                           yFract="0.02054502"
                           z3="8.39624"
                           zFract="0.37786859"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11563"
                           xFract="0.25066706"
                           y3="2.11595"
                           yFract="0.25070498"
                           z3="4.3003"
                           zFract="0.19353285"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06594"
                           xFract="0.24477962"
                           y3="1.94017"
                           yFract="0.22987796"
                           z3="8.52064"
                           zFract="0.38346715"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41371"
                           xFract="0.52295142"
                           y3="2.10368"
                           yFract="0.24925118"
                           z3="6.31929"
                           zFract="0.28439649"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33566"
                           xFract="0.75067062"
                           y3="8.3377"
                           yFract="0.98787915"
                           z3="6.31278"
                           zFract="0.28410351"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21316"
                           xFract="0.49918957"
                           y3="8.31044"
                           yFract="0.98464929"
                           z3="4.20835"
                           zFract="0.18939469"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38533"
                           xFract="0.51958886"
                           y3="-0.1030"
                           yFract="-0.01220379"
                           z3="8.47121"
                           zFract="0.38124257"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29622"
                           xFract="0.74599763"
                           y3="2.06911"
                           yFract="0.24515521"
                           z3="4.04789"
                           zFract="0.18217327"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85277"
                           xFract="0.81193957"
                           y3="2.26915"
                           yFract="0.26885664"
                           z3="9.20638"
                           zFract="0.41432853"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41423"
                           xFract="0.99694668"
                           y3="6.50668"
                           yFract="0.77093365"
                           z3="6.36757"
                           zFract="0.28656931"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93697"
                           xFract="0.22949882"
                           y3="4.23579"
                           yFract="0.50187085"
                           z3="6.47494"
                           zFract="0.29140144"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02312"
                           xFract="0.00273934"
                           y3="4.19358"
                           yFract="0.49686967"
                           z3="4.12629"
                           zFract="0.18570162"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57567"
                           xFract="0.06820735"
                           y3="3.8033"
                           yFract="0.45062796"
                           z3="9.61758"
                           zFract="0.43283438"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20597"
                           xFract="0.26137085"
                           y3="6.31952"
                           yFract="0.74875829"
                           z3="4.29194"
                           zFract="0.19315662"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93899"
                           xFract="0.22973815"
                           y3="6.40925"
                           yFract="0.75938981"
                           z3="8.48005"
                           zFract="0.38164041"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2306"
                           xFract="0.50125592"
                           y3="6.33316"
                           yFract="0.75037441"
                           z3="6.26439"
                           zFract="0.28192574"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42909"
                           xFract="0.76174052"
                           y3="4.3002"
                           yFract="0.50950237"
                           z3="6.30394"
                           zFract="0.28370567"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1867"
                           xFract="0.4960545"
                           y3="4.36115"
                           yFract="0.51672393"
                           z3="4.30169"
                           zFract="0.19359541"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1227"
                           xFract="0.48847156"
                           y3="4.30751"
                           yFract="0.51036848"
                           z3="8.52088"
                           zFract="0.38347795"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18671"
                           xFract="0.73302251"
                           y3="6.36351"
                           yFract="0.75397038"
                           z3="4.22225"
                           zFract="0.19002025"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53344"
                           xFract="0.77410427"
                           y3="6.04886"
                           yFract="0.71668957"
                           z3="8.4366"
                           zFract="0.37968497"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.185">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26333"
                           xFract="0.03120024"
                           y3="3.93901"
                           yFract="0.46670735"
                           z3="10.52892"
                           zFract="0.47384878"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04887"
                           xFract="-0.00579028"
                           y3="6.4833"
                           yFract="0.76816351"
                           z3="8.45417"
                           zFract="0.3804757"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33923"
                           xFract="0.7510936"
                           y3="0.00747"
                           yFract="0.00088507"
                           z3="4.24852"
                           zFract="0.19120252"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23234"
                           xFract="0.02752844"
                           y3="2.00812"
                           yFract="0.23792891"
                           z3="8.9954"
                           zFract="0.40483348"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3651"
                           xFract="0.75415877"
                           y3="6.31604"
                           yFract="0.74834597"
                           z3="6.36366"
                           zFract="0.28639334"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20358"
                           xFract="0.4980545"
                           y3="6.33304"
                           yFract="0.75036019"
                           z3="4.23167"
                           zFract="0.19044419"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41787"
                           xFract="0.99737796"
                           y3="0.0730"
                           yFract="0.00864929"
                           z3="6.36787"
                           zFract="0.28658281"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41869"
                           xFract="0.99747512"
                           y3="2.10664"
                           yFract="0.2496019"
                           z3="4.20261"
                           zFract="0.18913636"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13953"
                           xFract="0.25349882"
                           y3="4.31803"
                           yFract="0.51161493"
                           z3="8.54534"
                           zFract="0.38457876"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08728"
                           xFract="0.24730806"
                           y3="4.20741"
                           yFract="0.49850829"
                           z3="4.27391"
                           zFract="0.19234518"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0692"
                           xFract="0.24516588"
                           y3="6.34906"
                           yFract="0.75225829"
                           z3="6.38476"
                           zFract="0.28734293"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09737"
                           xFract="0.24850355"
                           y3="0.00795"
                           yFract="0.00094194"
                           z3="4.22831"
                           zFract="0.19029298"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26393"
                           xFract="0.50520498"
                           y3="0.01616"
                           yFract="0.00191469"
                           z3="6.32587"
                           zFract="0.28469262"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3553"
                           xFract="0.75299763"
                           y3="2.12907"
                           yFract="0.25225948"
                           z3="6.35966"
                           zFract="0.28621332"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62565"
                           xFract="0.78502962"
                           y3="4.08581"
                           yFract="0.48410071"
                           z3="8.64664"
                           zFract="0.38913771"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18085"
                           xFract="0.49536137"
                           y3="2.23036"
                           yFract="0.26426066"
                           z3="8.52315"
                           zFract="0.38358011"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42615"
                           xFract="0.998359"
                           y3="6.30801"
                           yFract="0.74739455"
                           z3="4.25912"
                           zFract="0.19167957"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39559"
                           xFract="0.99473815"
                           y3="4.17527"
                           yFract="0.49470024"
                           z3="6.45284"
                           zFract="0.29040684"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21192"
                           xFract="0.49904265"
                           y3="2.11493"
                           yFract="0.25058412"
                           z3="4.22809"
                           zFract="0.19028308"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02722"
                           xFract="0.24019194"
                           y3="2.09209"
                           yFract="0.24787796"
                           z3="6.4290"
                           zFract="0.28933393"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3619"
                           xFract="0.75377962"
                           y3="4.20983"
                           yFract="0.49879502"
                           z3="4.2466"
                           zFract="0.19111611"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51446"
                           xFract="0.53488863"
                           y3="6.29448"
                           yFract="0.74579147"
                           z3="8.50649"
                           zFract="0.38283033"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27453"
                           xFract="0.5064609"
                           y3="4.18837"
                           yFract="0.49625237"
                           z3="6.44945"
                           zFract="0.29025428"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22386"
                           xFract="0.26349052"
                           y3="-0.0580"
                           yFract="-0.00687204"
                           z3="8.46318"
                           zFract="0.38088119"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30045"
                           xFract="0.74649882"
                           y3="0.48183"
                           yFract="0.05708886"
                           z3="8.48153"
                           zFract="0.38170702"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2670"
                           xFract="0.97950237"
                           y3="2.02837"
                           yFract="0.2403282"
                           z3="6.22662"
                           zFract="0.28022592"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16962"
                           xFract="0.25706398"
                           y3="8.43677"
                           yFract="0.9996173"
                           z3="6.30841"
                           zFract="0.28390684"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00147"
                           xFract="0.00017417"
                           y3="0.00522"
                           yFract="0.00061848"
                           z3="4.25731"
                           zFract="0.19159811"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34087"
                           xFract="0.98825474"
                           y3="0.17307"
                           yFract="0.02050592"
                           z3="8.39614"
                           zFract="0.37786409"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11595"
                           xFract="0.25070498"
                           y3="2.1163"
                           yFract="0.25074645"
                           z3="4.29997"
                           zFract="0.193518"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06697"
                           xFract="0.24490166"
                           y3="1.93851"
                           yFract="0.22968128"
                           z3="8.52066"
                           zFract="0.38346805"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41451"
                           xFract="0.52304621"
                           y3="2.10392"
                           yFract="0.24927962"
                           z3="6.32017"
                           zFract="0.28443609"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33533"
                           xFract="0.75063152"
                           y3="8.3381"
                           yFract="0.98792654"
                           z3="6.31291"
                           zFract="0.28410936"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21342"
                           xFract="0.49922038"
                           y3="8.31162"
                           yFract="0.9847891"
                           z3="4.20771"
                           zFract="0.18936589"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38588"
                           xFract="0.51965403"
                           y3="-0.10418"
                           yFract="-0.0123436"
                           z3="8.47223"
                           zFract="0.38128848"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29641"
                           xFract="0.74602014"
                           y3="2.06917"
                           yFract="0.24516232"
                           z3="4.04747"
                           zFract="0.18215437"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85053"
                           xFract="0.81167417"
                           y3="2.27033"
                           yFract="0.26899645"
                           z3="9.20636"
                           zFract="0.41432763"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41426"
                           xFract="0.99695024"
                           y3="6.5071"
                           yFract="0.77098341"
                           z3="6.36736"
                           zFract="0.28655986"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93679"
                           xFract="0.22947749"
                           y3="4.23642"
                           yFract="0.5019455"
                           z3="6.47492"
                           zFract="0.29140054"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02351"
                           xFract="0.00278555"
                           y3="4.19378"
                           yFract="0.49689336"
                           z3="4.12601"
                           zFract="0.18568902"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57723"
                           xFract="0.06839218"
                           y3="3.80105"
                           yFract="0.45036137"
                           z3="9.61934"
                           zFract="0.43291359"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20629"
                           xFract="0.26140877"
                           y3="6.31988"
                           yFract="0.74880095"
                           z3="4.29181"
                           zFract="0.19315077"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93851"
                           xFract="0.22968128"
                           y3="6.40994"
                           yFract="0.75947156"
                           z3="8.47981"
                           zFract="0.38162961"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23066"
                           xFract="0.50126303"
                           y3="6.33374"
                           yFract="0.75044313"
                           z3="6.26395"
                           zFract="0.28190594"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42884"
                           xFract="0.7617109"
                           y3="4.30054"
                           yFract="0.50954265"
                           z3="6.30415"
                           zFract="0.28371512"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18664"
                           xFract="0.49604739"
                           y3="4.36173"
                           yFract="0.51679265"
                           z3="4.30105"
                           zFract="0.19356661"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12259"
                           xFract="0.48845853"
                           y3="4.30843"
                           yFract="0.51047749"
                           z3="8.52113"
                           zFract="0.3834892"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18603"
                           xFract="0.73294194"
                           y3="6.36374"
                           yFract="0.75399763"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53358"
                           xFract="0.77412085"
                           y3="6.0480"
                           yFract="0.71658768"
                           z3="8.43662"
                           zFract="0.37968587"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.186">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26349"
                           xFract="0.03121919"
                           y3="3.93842"
                           yFract="0.46663744"
                           z3="10.52917"
                           zFract="0.47386004"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04902"
                           xFract="-0.00580806"
                           y3="6.4835"
                           yFract="0.7681872"
                           z3="8.45379"
                           zFract="0.3804586"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33938"
                           xFract="0.75111137"
                           y3="0.0077"
                           yFract="0.00091232"
                           z3="4.24853"
                           zFract="0.19120297"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23466"
                           xFract="0.02780332"
                           y3="2.00802"
                           yFract="0.23791706"
                           z3="8.99552"
                           zFract="0.40483888"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36491"
                           xFract="0.75413626"
                           y3="6.31576"
                           yFract="0.7483128"
                           z3="6.3636"
                           zFract="0.28639064"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20378"
                           xFract="0.4980782"
                           y3="6.33147"
                           yFract="0.75017417"
                           z3="4.23199"
                           zFract="0.1904586"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41805"
                           xFract="0.99739929"
                           y3="0.07318"
                           yFract="0.00867062"
                           z3="6.36716"
                           zFract="0.28655086"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41875"
                           xFract="0.99748223"
                           y3="2.10672"
                           yFract="0.24961137"
                           z3="4.20149"
                           zFract="0.18908596"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13929"
                           xFract="0.25347038"
                           y3="4.31827"
                           yFract="0.51164336"
                           z3="8.54536"
                           zFract="0.38457966"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08745"
                           xFract="0.2473282"
                           y3="4.20727"
                           yFract="0.49849171"
                           z3="4.27413"
                           zFract="0.19235509"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06905"
                           xFract="0.2451481"
                           y3="6.34892"
                           yFract="0.75224171"
                           z3="6.38442"
                           zFract="0.28732763"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09699"
                           xFract="0.24845853"
                           y3="0.00804"
                           yFract="0.00095261"
                           z3="4.22854"
                           zFract="0.19030333"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26402"
                           xFract="0.50521564"
                           y3="0.01627"
                           yFract="0.00192773"
                           z3="6.32602"
                           zFract="0.28469937"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35477"
                           xFract="0.75293483"
                           y3="2.12912"
                           yFract="0.2522654"
                           z3="6.35989"
                           zFract="0.28622367"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62657"
                           xFract="0.78513863"
                           y3="4.08629"
                           yFract="0.48415758"
                           z3="8.64698"
                           zFract="0.38915302"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18082"
                           xFract="0.49535782"
                           y3="2.23174"
                           yFract="0.26442417"
                           z3="8.52294"
                           zFract="0.38357066"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4263"
                           xFract="0.99837678"
                           y3="6.30839"
                           yFract="0.74743957"
                           z3="4.25908"
                           zFract="0.19167777"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39545"
                           xFract="0.99472156"
                           y3="4.17537"
                           yFract="0.49471209"
                           z3="6.45321"
                           zFract="0.29042349"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21177"
                           xFract="0.49902488"
                           y3="2.11499"
                           yFract="0.25059123"
                           z3="4.22821"
                           zFract="0.19028848"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02746"
                           xFract="0.24022038"
                           y3="2.09183"
                           yFract="0.24784716"
                           z3="6.42921"
                           zFract="0.28934338"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3617"
                           xFract="0.75375592"
                           y3="4.20981"
                           yFract="0.49879265"
                           z3="4.24654"
                           zFract="0.19111341"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51526"
                           xFract="0.53498341"
                           y3="6.29425"
                           yFract="0.74576422"
                           z3="8.5067"
                           zFract="0.38283978"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2746"
                           xFract="0.50646919"
                           y3="4.18833"
                           yFract="0.49624763"
                           z3="6.44941"
                           zFract="0.29025248"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22456"
                           xFract="0.26357346"
                           y3="-0.05833"
                           yFract="-0.00691114"
                           z3="8.46325"
                           zFract="0.38088434"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30015"
                           xFract="0.74646327"
                           y3="0.4815"
                           yFract="0.05704976"
                           z3="8.4814"
                           zFract="0.38170117"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26707"
                           xFract="0.97951066"
                           y3="2.02864"
                           yFract="0.24036019"
                           z3="6.22753"
                           zFract="0.28026688"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16963"
                           xFract="0.25706517"
                           y3="8.43663"
                           yFract="0.99960071"
                           z3="6.30881"
                           zFract="0.28392484"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00168"
                           xFract="0.00019905"
                           y3="0.00476"
                           yFract="0.00056398"
                           z3="4.25748"
                           zFract="0.19160576"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34045"
                           xFract="0.98820498"
                           y3="0.17291"
                           yFract="0.02048697"
                           z3="8.39609"
                           zFract="0.37786184"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11611"
                           xFract="0.25072393"
                           y3="2.11646"
                           yFract="0.2507654"
                           z3="4.29981"
                           zFract="0.1935108"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06747"
                           xFract="0.2449609"
                           y3="1.9377"
                           yFract="0.22958531"
                           z3="8.52067"
                           zFract="0.3834685"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4149"
                           xFract="0.52309242"
                           y3="2.10403"
                           yFract="0.24929265"
                           z3="6.3206"
                           zFract="0.28445545"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33517"
                           xFract="0.75061256"
                           y3="8.3383"
                           yFract="0.98795024"
                           z3="6.31297"
                           zFract="0.28411206"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21355"
                           xFract="0.49923578"
                           y3="8.3122"
                           yFract="0.98485782"
                           z3="4.2074"
                           zFract="0.18935194"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38616"
                           xFract="0.5196872"
                           y3="-0.10476"
                           yFract="-0.01241232"
                           z3="8.47273"
                           zFract="0.38131098"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29651"
                           xFract="0.74603199"
                           y3="2.06919"
                           yFract="0.24516469"
                           z3="4.04727"
                           zFract="0.18214536"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84944"
                           xFract="0.81154502"
                           y3="2.2709"
                           yFract="0.26906398"
                           z3="9.20636"
                           zFract="0.41432763"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41428"
                           xFract="0.99695261"
                           y3="6.50731"
                           yFract="0.77100829"
                           z3="6.36726"
                           zFract="0.28655536"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9367"
                           xFract="0.22946682"
                           y3="4.23673"
                           yFract="0.50198223"
                           z3="6.47491"
                           zFract="0.29140009"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0237"
                           xFract="0.00280806"
                           y3="4.19388"
                           yFract="0.49690521"
                           z3="4.12587"
                           zFract="0.18568272"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.5780"
                           xFract="0.06848341"
                           y3="3.79995"
                           yFract="0.45023104"
                           z3="9.6202"
                           zFract="0.4329523"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20644"
                           xFract="0.26142654"
                           y3="6.32005"
                           yFract="0.74882109"
                           z3="4.29175"
                           zFract="0.19314806"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93828"
                           xFract="0.22965403"
                           y3="6.41028"
                           yFract="0.75951185"
                           z3="8.47969"
                           zFract="0.38162421"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23069"
                           xFract="0.50126659"
                           y3="6.33403"
                           yFract="0.75047749"
                           z3="6.26374"
                           zFract="0.28189649"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42872"
                           xFract="0.76169668"
                           y3="4.30071"
                           yFract="0.5095628"
                           z3="6.30425"
                           zFract="0.28371962"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18661"
                           xFract="0.49604384"
                           y3="4.36201"
                           yFract="0.51682583"
                           z3="4.30074"
                           zFract="0.19355266"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12253"
                           xFract="0.48845142"
                           y3="4.30888"
                           yFract="0.51053081"
                           z3="8.52125"
                           zFract="0.3834946"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1857"
                           xFract="0.73290284"
                           y3="6.36385"
                           yFract="0.75401066"
                           z3="4.2213"
                           zFract="0.1899775"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53365"
                           xFract="0.77412915"
                           y3="6.04759"
                           yFract="0.7165391"
                           z3="8.43663"
                           zFract="0.37968632"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.187">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26391"
                           xFract="0.03126896"
                           y3="3.93745"
                           yFract="0.46652251"
                           z3="10.52831"
                           zFract="0.47382133"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04905"
                           xFract="-0.00581161"
                           y3="6.4840"
                           yFract="0.76824645"
                           z3="8.4534"
                           zFract="0.38044104"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33921"
                           xFract="0.75109123"
                           y3="0.00792"
                           yFract="0.00093839"
                           z3="4.24847"
                           zFract="0.19120027"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23409"
                           xFract="0.02773578"
                           y3="2.00754"
                           yFract="0.23786019"
                           z3="8.99608"
                           zFract="0.40486409"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36469"
                           xFract="0.75411019"
                           y3="6.31571"
                           yFract="0.74830687"
                           z3="6.36344"
                           zFract="0.28638344"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20394"
                           xFract="0.49809716"
                           y3="6.33164"
                           yFract="0.75019431"
                           z3="4.2320"
                           zFract="0.19045905"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41798"
                           xFract="0.997391"
                           y3="0.07343"
                           yFract="0.00870024"
                           z3="6.36691"
                           zFract="0.2865396"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41875"
                           xFract="0.99748223"
                           y3="2.10692"
                           yFract="0.24963507"
                           z3="4.20082"
                           zFract="0.18905581"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13924"
                           xFract="0.25346445"
                           y3="4.31882"
                           yFract="0.51170853"
                           z3="8.54532"
                           zFract="0.38457786"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08749"
                           xFract="0.24733294"
                           y3="4.20716"
                           yFract="0.49847867"
                           z3="4.27435"
                           zFract="0.19236499"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06889"
                           xFract="0.24512915"
                           y3="6.34869"
                           yFract="0.75221445"
                           z3="6.38411"
                           zFract="0.28731368"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09687"
                           xFract="0.24844431"
                           y3="0.0081"
                           yFract="0.00095972"
                           z3="4.22879"
                           zFract="0.19031458"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26408"
                           xFract="0.50522275"
                           y3="0.01632"
                           yFract="0.00193365"
                           z3="6.32601"
                           zFract="0.28469892"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35496"
                           xFract="0.75295735"
                           y3="2.1291"
                           yFract="0.25226303"
                           z3="6.36045"
                           zFract="0.28624887"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62767"
                           xFract="0.78526896"
                           y3="4.08662"
                           yFract="0.48419668"
                           z3="8.6472"
                           zFract="0.38916292"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18086"
                           xFract="0.49536256"
                           y3="2.23318"
                           yFract="0.26459479"
                           z3="8.52277"
                           zFract="0.38356301"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42641"
                           xFract="0.99838981"
                           y3="6.3087"
                           yFract="0.7474763"
                           z3="4.25903"
                           zFract="0.19167552"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39532"
                           xFract="0.99470616"
                           y3="4.17536"
                           yFract="0.4947109"
                           z3="6.45354"
                           zFract="0.29043834"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21163"
                           xFract="0.49900829"
                           y3="2.11495"
                           yFract="0.25058649"
                           z3="4.22829"
                           zFract="0.19029208"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02765"
                           xFract="0.24024289"
                           y3="2.09162"
                           yFract="0.24782227"
                           z3="6.42941"
                           zFract="0.28935239"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36173"
                           xFract="0.75375948"
                           y3="4.20979"
                           yFract="0.49879028"
                           z3="4.24655"
                           zFract="0.19111386"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51594"
                           xFract="0.53506398"
                           y3="6.29412"
                           yFract="0.74574882"
                           z3="8.50717"
                           zFract="0.38286094"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27465"
                           xFract="0.50647512"
                           y3="4.18836"
                           yFract="0.49625118"
                           z3="6.44954"
                           zFract="0.29025833"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22524"
                           xFract="0.26365403"
                           y3="-0.05885"
                           yFract="-0.00697275"
                           z3="8.46319"
                           zFract="0.38088164"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3003"
                           xFract="0.74648104"
                           y3="0.4814"
                           yFract="0.05703791"
                           z3="8.48139"
                           zFract="0.38170072"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26696"
                           xFract="0.97949763"
                           y3="2.0290"
                           yFract="0.24040284"
                           z3="6.22789"
                           zFract="0.28028308"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16959"
                           xFract="0.25706043"
                           y3="8.43643"
                           yFract="0.99957701"
                           z3="6.30905"
                           zFract="0.28393564"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00192"
                           xFract="0.00022749"
                           y3="0.00448"
                           yFract="0.00053081"
                           z3="4.25758"
                           zFract="0.19161026"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.34008"
                           xFract="0.98816114"
                           y3="0.17285"
                           yFract="0.02047986"
                           z3="8.39584"
                           zFract="0.37785059"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11635"
                           xFract="0.25075237"
                           y3="2.1166"
                           yFract="0.25078199"
                           z3="4.29967"
                           zFract="0.1935045"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.06891"
                           xFract="0.24513152"
                           y3="1.93685"
                           yFract="0.2294846"
                           z3="8.52068"
                           zFract="0.38346895"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41508"
                           xFract="0.52311374"
                           y3="2.10418"
                           yFract="0.24931043"
                           z3="6.32116"
                           zFract="0.28448065"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3350"
                           xFract="0.75059242"
                           y3="8.33838"
                           yFract="0.98795972"
                           z3="6.31288"
                           zFract="0.28410801"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21359"
                           xFract="0.49924052"
                           y3="8.31229"
                           yFract="0.98486848"
                           z3="4.20713"
                           zFract="0.18933978"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38644"
                           xFract="0.51972038"
                           y3="-0.10538"
                           yFract="-0.01248578"
                           z3="8.47339"
                           zFract="0.38134068"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2965"
                           xFract="0.74603081"
                           y3="2.06936"
                           yFract="0.24518483"
                           z3="4.04704"
                           zFract="0.18213501"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.84977"
                           xFract="0.81158412"
                           y3="2.27109"
                           yFract="0.26908649"
                           z3="9.20599"
                           zFract="0.41431098"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41413"
                           xFract="0.99693483"
                           y3="6.50749"
                           yFract="0.77102962"
                           z3="6.36729"
                           zFract="0.28655671"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93674"
                           xFract="0.22947156"
                           y3="4.23713"
                           yFract="0.50202962"
                           z3="6.47489"
                           zFract="0.29139919"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0239"
                           xFract="0.00283175"
                           y3="4.19401"
                           yFract="0.49692062"
                           z3="4.12571"
                           zFract="0.18567552"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57876"
                           xFract="0.06857346"
                           y3="3.79914"
                           yFract="0.45013507"
                           z3="9.62229"
                           zFract="0.43304635"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20655"
                           xFract="0.26143957"
                           y3="6.32006"
                           yFract="0.74882227"
                           z3="4.2917"
                           zFract="0.19314581"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93819"
                           xFract="0.22964336"
                           y3="6.41053"
                           yFract="0.75954147"
                           z3="8.4795"
                           zFract="0.38161566"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23076"
                           xFract="0.50127488"
                           y3="6.33416"
                           yFract="0.75049289"
                           z3="6.26342"
                           zFract="0.28188209"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42848"
                           xFract="0.76166825"
                           y3="4.30073"
                           yFract="0.50956517"
                           z3="6.30424"
                           zFract="0.28371917"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18658"
                           xFract="0.49604028"
                           y3="4.36186"
                           yFract="0.51680806"
                           z3="4.30042"
                           zFract="0.19353825"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12225"
                           xFract="0.48841825"
                           y3="4.30932"
                           yFract="0.51058294"
                           z3="8.52133"
                           zFract="0.3834982"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18554"
                           xFract="0.73288389"
                           y3="6.36379"
                           yFract="0.75400355"
                           z3="4.22097"
                           zFract="0.18996265"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53388"
                           xFract="0.7741564"
                           y3="6.04708"
                           yFract="0.71647867"
                           z3="8.43664"
                           zFract="0.37968677"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.188">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26434"
                           xFract="0.03131991"
                           y3="3.93644"
                           yFract="0.46640284"
                           z3="10.52741"
                           zFract="0.47378083"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04908"
                           xFract="-0.00581517"
                           y3="6.48453"
                           yFract="0.76830924"
                           z3="8.45298"
                           zFract="0.38042214"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33903"
                           xFract="0.75106991"
                           y3="0.00814"
                           yFract="0.00096445"
                           z3="4.24842"
                           zFract="0.19119802"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2335"
                           xFract="0.02766588"
                           y3="2.00703"
                           yFract="0.23779976"
                           z3="8.99666"
                           zFract="0.40489019"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36446"
                           xFract="0.75408294"
                           y3="6.31565"
                           yFract="0.74829976"
                           z3="6.36328"
                           zFract="0.28637624"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20411"
                           xFract="0.4981173"
                           y3="6.33182"
                           yFract="0.75021564"
                           z3="4.23201"
                           zFract="0.1904595"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41791"
                           xFract="0.9973827"
                           y3="0.07369"
                           yFract="0.00873104"
                           z3="6.36663"
                           zFract="0.286527"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41875"
                           xFract="0.99748223"
                           y3="2.10712"
                           yFract="0.24965877"
                           z3="4.20012"
                           zFract="0.1890243"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13919"
                           xFract="0.25345853"
                           y3="4.3194"
                           yFract="0.51177725"
                           z3="8.54527"
                           zFract="0.38457561"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08753"
                           xFract="0.24733768"
                           y3="4.20704"
                           yFract="0.49846445"
                           z3="4.27459"
                           zFract="0.19237579"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06872"
                           xFract="0.245109"
                           y3="6.34846"
                           yFract="0.7521872"
                           z3="6.38378"
                           zFract="0.28729883"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09675"
                           xFract="0.24843009"
                           y3="0.00816"
                           yFract="0.00096682"
                           z3="4.22905"
                           zFract="0.19032628"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26413"
                           xFract="0.50522867"
                           y3="0.01636"
                           yFract="0.00193839"
                           z3="6.32599"
                           zFract="0.28469802"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35516"
                           xFract="0.75298104"
                           y3="2.12908"
                           yFract="0.25226066"
                           z3="6.36104"
                           zFract="0.28627543"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62882"
                           xFract="0.78540521"
                           y3="4.08697"
                           yFract="0.48423815"
                           z3="8.64744"
                           zFract="0.38917372"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1809"
                           xFract="0.4953673"
                           y3="2.23471"
                           yFract="0.26477607"
                           z3="8.52259"
                           zFract="0.38355491"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42654"
                           xFract="0.99840521"
                           y3="6.30902"
                           yFract="0.74751422"
                           z3="4.25899"
                           zFract="0.19167372"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39518"
                           xFract="0.99468957"
                           y3="4.17534"
                           yFract="0.49470853"
                           z3="6.45389"
                           zFract="0.2904541"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21148"
                           xFract="0.49899052"
                           y3="2.11491"
                           yFract="0.25058175"
                           z3="4.22838"
                           zFract="0.19029613"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02785"
                           xFract="0.24026659"
                           y3="2.0914"
                           yFract="0.24779621"
                           z3="6.42962"
                           zFract="0.28936184"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36176"
                           xFract="0.75376303"
                           y3="4.20976"
                           yFract="0.49878673"
                           z3="4.24655"
                           zFract="0.19111386"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51664"
                           xFract="0.53514692"
                           y3="6.29398"
                           yFract="0.74573223"
                           z3="8.50767"
                           zFract="0.38288344"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2747"
                           xFract="0.50648104"
                           y3="4.18839"
                           yFract="0.49625474"
                           z3="6.44967"
                           zFract="0.29026418"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22595"
                           xFract="0.26373815"
                           y3="-0.0594"
                           yFract="-0.00703791"
                           z3="8.46313"
                           zFract="0.38087894"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30046"
                           xFract="0.7465"
                           y3="0.4813"
                           yFract="0.05702607"
                           z3="8.48137"
                           zFract="0.38169982"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26683"
                           xFract="0.97948223"
                           y3="2.02937"
                           yFract="0.24044668"
                           z3="6.22827"
                           zFract="0.28030018"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16955"
                           xFract="0.25705569"
                           y3="8.43621"
                           yFract="0.99955095"
                           z3="6.3093"
                           zFract="0.28394689"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00217"
                           xFract="0.00025711"
                           y3="0.00418"
                           yFract="0.00049526"
                           z3="4.2577"
                           zFract="0.19161566"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33969"
                           xFract="0.98811493"
                           y3="0.17279"
                           yFract="0.02047275"
                           z3="8.39557"
                           zFract="0.37783843"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11661"
                           xFract="0.25078318"
                           y3="2.11675"
                           yFract="0.25079976"
                           z3="4.29953"
                           zFract="0.1934982"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07042"
                           xFract="0.24531043"
                           y3="1.93596"
                           yFract="0.22937915"
                           z3="8.5207"
                           zFract="0.38346985"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41526"
                           xFract="0.52313507"
                           y3="2.10434"
                           yFract="0.24932938"
                           z3="6.32175"
                           zFract="0.2845072"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33482"
                           xFract="0.75057109"
                           y3="8.33847"
                           yFract="0.98797038"
                           z3="6.31279"
                           zFract="0.28410396"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21362"
                           xFract="0.49924408"
                           y3="8.31239"
                           yFract="0.98488033"
                           z3="4.20686"
                           zFract="0.18932763"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38674"
                           xFract="0.51975592"
                           y3="-0.10603"
                           yFract="-0.0125628"
                           z3="8.47408"
                           zFract="0.38137174"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29649"
                           xFract="0.74602962"
                           y3="2.06954"
                           yFract="0.24520616"
                           z3="4.0468"
                           zFract="0.18212421"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85012"
                           xFract="0.81162559"
                           y3="2.27128"
                           yFract="0.269109"
                           z3="9.2056"
                           zFract="0.41429343"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41398"
                           xFract="0.99691706"
                           y3="6.50767"
                           yFract="0.77105095"
                           z3="6.36732"
                           zFract="0.28655806"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93678"
                           xFract="0.2294763"
                           y3="4.23756"
                           yFract="0.50208057"
                           z3="6.47487"
                           zFract="0.29139829"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02411"
                           xFract="0.00285664"
                           y3="4.19414"
                           yFract="0.49693602"
                           z3="4.12555"
                           zFract="0.18566832"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.57957"
                           xFract="0.06866943"
                           y3="3.7983"
                           yFract="0.45003555"
                           z3="9.62449"
                           zFract="0.43314536"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20666"
                           xFract="0.26145261"
                           y3="6.32007"
                           yFract="0.74882346"
                           z3="4.29166"
                           zFract="0.19314401"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.9381"
                           xFract="0.2296327"
                           y3="6.41079"
                           yFract="0.75957227"
                           z3="8.4793"
                           zFract="0.38160666"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23083"
                           xFract="0.50128318"
                           y3="6.3343"
                           yFract="0.75050948"
                           z3="6.26308"
                           zFract="0.28186679"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42823"
                           xFract="0.76163863"
                           y3="4.30075"
                           yFract="0.50956754"
                           z3="6.30424"
                           zFract="0.28371917"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18654"
                           xFract="0.49603555"
                           y3="4.36169"
                           yFract="0.51678791"
                           z3="4.3001"
                           zFract="0.19352385"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12194"
                           xFract="0.48838152"
                           y3="4.30978"
                           yFract="0.51063744"
                           z3="8.52141"
                           zFract="0.3835018"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18537"
                           xFract="0.73286374"
                           y3="6.36374"
                           yFract="0.75399763"
                           z3="4.22062"
                           zFract="0.18994689"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53412"
                           xFract="0.77418483"
                           y3="6.04656"
                           yFract="0.71641706"
                           z3="8.43665"
                           zFract="0.37968722"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.189">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26426"
                           xFract="0.03131043"
                           y3="3.9360"
                           yFract="0.46635071"
                           z3="10.52778"
                           zFract="0.47379748"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04908"
                           xFract="-0.00581517"
                           y3="6.48483"
                           yFract="0.76834479"
                           z3="8.45276"
                           zFract="0.38041224"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33891"
                           xFract="0.75105569"
                           y3="0.00825"
                           yFract="0.00097749"
                           z3="4.24838"
                           zFract="0.19119622"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23308"
                           xFract="0.02761611"
                           y3="2.00675"
                           yFract="0.23776659"
                           z3="8.9970"
                           zFract="0.40490549"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36433"
                           xFract="0.75406754"
                           y3="6.31565"
                           yFract="0.74829976"
                           z3="6.36317"
                           zFract="0.28637129"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20417"
                           xFract="0.49812441"
                           y3="6.33208"
                           yFract="0.75024645"
                           z3="4.23195"
                           zFract="0.1904568"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41783"
                           xFract="0.99737322"
                           y3="0.07383"
                           yFract="0.00874763"
                           z3="6.36658"
                           zFract="0.28652475"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41873"
                           xFract="0.99747986"
                           y3="2.10725"
                           yFract="0.24967417"
                           z3="4.19987"
                           zFract="0.18901305"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13912"
                           xFract="0.25345024"
                           y3="4.31973"
                           yFract="0.51181635"
                           z3="8.54528"
                           zFract="0.38457606"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08753"
                           xFract="0.24733768"
                           y3="4.20699"
                           yFract="0.49845853"
                           z3="4.27471"
                           zFract="0.19238119"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06864"
                           xFract="0.24509953"
                           y3="6.34834"
                           yFract="0.75217299"
                           z3="6.38361"
                           zFract="0.28729118"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09674"
                           xFract="0.24842891"
                           y3="0.00819"
                           yFract="0.00097038"
                           z3="4.22918"
                           zFract="0.19033213"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26415"
                           xFract="0.50523104"
                           y3="0.01638"
                           yFract="0.00194076"
                           z3="6.32597"
                           zFract="0.28469712"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35533"
                           xFract="0.75300118"
                           y3="2.12908"
                           yFract="0.25226066"
                           z3="6.36139"
                           zFract="0.28629118"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.62947"
                           xFract="0.78548223"
                           y3="4.08712"
                           yFract="0.48425592"
                           z3="8.64754"
                           zFract="0.38917822"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18092"
                           xFract="0.49536967"
                           y3="2.2355"
                           yFract="0.26486967"
                           z3="8.52252"
                           zFract="0.38355176"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42659"
                           xFract="0.99841114"
                           y3="6.30916"
                           yFract="0.74753081"
                           z3="4.25895"
                           zFract="0.19167192"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39511"
                           xFract="0.99468128"
                           y3="4.17531"
                           yFract="0.49470498"
                           z3="6.45407"
                           zFract="0.2904622"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21142"
                           xFract="0.49898341"
                           y3="2.11489"
                           yFract="0.25057938"
                           z3="4.22843"
                           zFract="0.19029838"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02795"
                           xFract="0.24027844"
                           y3="2.09129"
                           yFract="0.24778318"
                           z3="6.42973"
                           zFract="0.28936679"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36181"
                           xFract="0.75376896"
                           y3="4.20974"
                           yFract="0.49878436"
                           z3="4.24656"
                           zFract="0.19111431"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51699"
                           xFract="0.53518839"
                           y3="6.29392"
                           yFract="0.74572512"
                           z3="8.50796"
                           zFract="0.38289649"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27472"
                           xFract="0.50648341"
                           y3="4.18843"
                           yFract="0.49625948"
                           z3="6.44974"
                           zFract="0.29026733"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22634"
                           xFract="0.26378436"
                           y3="-0.0597"
                           yFract="-0.00707346"
                           z3="8.4631"
                           zFract="0.38087759"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30057"
                           xFract="0.74651303"
                           y3="0.48126"
                           yFract="0.05702133"
                           z3="8.48138"
                           zFract="0.38170027"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26678"
                           xFract="0.9794763"
                           y3="2.02959"
                           yFract="0.24047275"
                           z3="6.22835"
                           zFract="0.28030378"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16953"
                           xFract="0.25705332"
                           y3="8.43609"
                           yFract="0.99953673"
                           z3="6.30939"
                           zFract="0.28395095"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0023"
                           xFract="0.00027251"
                           y3="0.00408"
                           yFract="0.00048341"
                           z3="4.25775"
                           zFract="0.19161791"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33947"
                           xFract="0.98808886"
                           y3="0.17277"
                           yFract="0.02047038"
                           z3="8.39539"
                           zFract="0.37783033"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11674"
                           xFract="0.25079858"
                           y3="2.11681"
                           yFract="0.25080687"
                           z3="4.29947"
                           zFract="0.1934955"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07121"
                           xFract="0.24540403"
                           y3="1.93549"
                           yFract="0.22932346"
                           z3="8.52075"
                           zFract="0.3834721"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41534"
                           xFract="0.52314455"
                           y3="2.10442"
                           yFract="0.24933886"
                           z3="6.32208"
                           zFract="0.28452205"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33472"
                           xFract="0.75055924"
                           y3="8.33849"
                           yFract="0.98797275"
                           z3="6.31271"
                           zFract="0.28410036"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21362"
                           xFract="0.49924408"
                           y3="8.31239"
                           yFract="0.98488033"
                           z3="4.20674"
                           zFract="0.18932223"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38693"
                           xFract="0.51977844"
                           y3="-0.10639"
                           yFract="-0.01260545"
                           z3="8.47445"
                           zFract="0.38138839"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29648"
                           xFract="0.74602844"
                           y3="2.06966"
                           yFract="0.24522038"
                           z3="4.0467"
                           zFract="0.18211971"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85043"
                           xFract="0.81166232"
                           y3="2.27134"
                           yFract="0.26911611"
                           z3="9.20536"
                           zFract="0.41428263"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41387"
                           xFract="0.99690403"
                           y3="6.50777"
                           yFract="0.7710628"
                           z3="6.36735"
                           zFract="0.28655941"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93681"
                           xFract="0.22947986"
                           y3="4.23778"
                           yFract="0.50210664"
                           z3="6.47486"
                           zFract="0.29139784"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02422"
                           xFract="0.00286967"
                           y3="4.19423"
                           yFract="0.49694668"
                           z3="4.12547"
                           zFract="0.18566472"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.58039"
                           xFract="0.06876659"
                           y3="3.79773"
                           yFract="0.44996801"
                           z3="9.6248"
                           zFract="0.43315932"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20672"
                           xFract="0.26145972"
                           y3="6.32006"
                           yFract="0.74882227"
                           z3="4.29163"
                           zFract="0.19314266"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93805"
                           xFract="0.22962678"
                           y3="6.41089"
                           yFract="0.75958412"
                           z3="8.47918"
                           zFract="0.38160126"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23089"
                           xFract="0.50129028"
                           y3="6.33435"
                           yFract="0.7505154"
                           z3="6.26288"
                           zFract="0.28185779"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42809"
                           xFract="0.76162204"
                           y3="4.30075"
                           yFract="0.50956754"
                           z3="6.30421"
                           zFract="0.28371782"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18653"
                           xFract="0.49603436"
                           y3="4.36156"
                           yFract="0.51677251"
                           z3="4.29994"
                           zFract="0.19351665"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12174"
                           xFract="0.48835782"
                           y3="4.31006"
                           yFract="0.51067062"
                           z3="8.52145"
                           zFract="0.3835036"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18533"
                           xFract="0.732859"
                           y3="6.36369"
                           yFract="0.75399171"
                           z3="4.22045"
                           zFract="0.18993924"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53429"
                           xFract="0.77420498"
                           y3="6.04628"
                           yFract="0.71638389"
                           z3="8.43666"
                           zFract="0.37968767"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.190">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26402"
                           xFract="0.03128199"
                           y3="3.93469"
                           yFract="0.4661955"
                           z3="10.52889"
                           zFract="0.47384743"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0491"
                           xFract="-0.00581754"
                           y3="6.48572"
                           yFract="0.76845024"
                           z3="8.45209"
                           zFract="0.38038209"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33855"
                           xFract="0.75101303"
                           y3="0.00858"
                           yFract="0.00101659"
                           z3="4.24826"
                           zFract="0.19119082"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23181"
                           xFract="0.02746564"
                           y3="2.00589"
                           yFract="0.23766469"
                           z3="8.99801"
                           zFract="0.40495095"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36397"
                           xFract="0.75402488"
                           y3="6.31566"
                           yFract="0.74830095"
                           z3="6.36286"
                           zFract="0.28635734"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20435"
                           xFract="0.49814573"
                           y3="6.33288"
                           yFract="0.75034123"
                           z3="4.23176"
                           zFract="0.19044824"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4176"
                           xFract="0.99734597"
                           y3="0.07425"
                           yFract="0.00879739"
                           z3="6.36641"
                           zFract="0.2865171"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41868"
                           xFract="0.99747393"
                           y3="2.10761"
                           yFract="0.24971682"
                           z3="4.19912"
                           zFract="0.1889793"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1389"
                           xFract="0.25342417"
                           y3="4.32071"
                           yFract="0.51193246"
                           z3="8.54531"
                           zFract="0.38457741"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08755"
                           xFract="0.24734005"
                           y3="4.20686"
                           yFract="0.49844313"
                           z3="4.27505"
                           zFract="0.19239649"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06839"
                           xFract="0.24506991"
                           y3="6.3480"
                           yFract="0.7521327"
                           z3="6.38313"
                           zFract="0.28726958"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0967"
                           xFract="0.24842417"
                           y3="0.00826"
                           yFract="0.00097867"
                           z3="4.22957"
                           zFract="0.19034968"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26422"
                           xFract="0.50523934"
                           y3="0.01642"
                           yFract="0.0019455"
                           z3="6.32593"
                           zFract="0.28469532"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35586"
                           xFract="0.75306398"
                           y3="2.12905"
                           yFract="0.25225711"
                           z3="6.36243"
                           zFract="0.28633798"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.63141"
                           xFract="0.78571209"
                           y3="4.08757"
                           yFract="0.48430924"
                           z3="8.64786"
                           zFract="0.38919262"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18098"
                           xFract="0.49537678"
                           y3="2.23788"
                           yFract="0.26515166"
                           z3="8.52228"
                           zFract="0.38354095"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42677"
                           xFract="0.99843246"
                           y3="6.30957"
                           yFract="0.74757938"
                           z3="4.25885"
                           zFract="0.19166742"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3949"
                           xFract="0.9946564"
                           y3="4.17524"
                           yFract="0.49469668"
                           z3="6.4546"
                           zFract="0.29048605"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21124"
                           xFract="0.49896209"
                           y3="2.11481"
                           yFract="0.25056991"
                           z3="4.22856"
                           zFract="0.19030423"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02823"
                           xFract="0.24031161"
                           y3="2.09097"
                           yFract="0.24774526"
                           z3="6.43008"
                           zFract="0.28938254"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36194"
                           xFract="0.75378436"
                           y3="4.20971"
                           yFract="0.49878081"
                           z3="4.24659"
                           zFract="0.19111566"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.51804"
                           xFract="0.5353128"
                           y3="6.29377"
                           yFract="0.74570735"
                           z3="8.50885"
                           zFract="0.38293654"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27479"
                           xFract="0.50649171"
                           y3="4.18854"
                           yFract="0.49627251"
                           z3="6.44997"
                           zFract="0.29027768"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22749"
                           xFract="0.26392062"
                           y3="-0.06057"
                           yFract="-0.00717654"
                           z3="8.4630"
                           zFract="0.38087309"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30087"
                           xFract="0.74654858"
                           y3="0.48115"
                           yFract="0.05700829"
                           z3="8.4814"
                           zFract="0.38170117"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26661"
                           xFract="0.97945616"
                           y3="2.03023"
                           yFract="0.24054858"
                           z3="6.22859"
                           zFract="0.28031458"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16948"
                           xFract="0.25704739"
                           y3="8.43571"
                           yFract="0.99949171"
                           z3="6.30967"
                           zFract="0.28396355"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00267"
                           xFract="0.00031635"
                           y3="0.00377"
                           yFract="0.00044668"
                           z3="4.25791"
                           zFract="0.19162511"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33883"
                           xFract="0.98801303"
                           y3="0.17273"
                           yFract="0.02046564"
                           z3="8.39487"
                           zFract="0.37780693"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11712"
                           xFract="0.2508436"
                           y3="2.11698"
                           yFract="0.25082701"
                           z3="4.29928"
                           zFract="0.19348695"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07359"
                           xFract="0.24568602"
                           y3="1.93408"
                           yFract="0.2291564"
                           z3="8.52089"
                           zFract="0.3834784"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41557"
                           xFract="0.5231718"
                           y3="2.10466"
                           yFract="0.2493673"
                           z3="6.32307"
                           zFract="0.28456661"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33444"
                           xFract="0.75052607"
                           y3="8.33857"
                           yFract="0.98798223"
                           z3="6.31246"
                           zFract="0.28408911"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21361"
                           xFract="0.49924289"
                           y3="8.31236"
                           yFract="0.98487678"
                           z3="4.20638"
                           zFract="0.18930603"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38751"
                           xFract="0.51984716"
                           y3="-0.10747"
                           yFract="-0.01273341"
                           z3="8.47556"
                           zFract="0.38143834"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29643"
                           xFract="0.74602251"
                           y3="2.0700"
                           yFract="0.24526066"
                           z3="4.04637"
                           zFract="0.18210486"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85139"
                           xFract="0.81177607"
                           y3="2.27153"
                           yFract="0.26913863"
                           z3="9.20463"
                           zFract="0.41424977"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41353"
                           xFract="0.99686374"
                           y3="6.50806"
                           yFract="0.77109716"
                           z3="6.36742"
                           zFract="0.28656256"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93691"
                           xFract="0.22949171"
                           y3="4.23843"
                           yFract="0.50218365"
                           z3="6.47484"
                           zFract="0.29139694"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02453"
                           xFract="0.0029064"
                           y3="4.19449"
                           yFract="0.49697749"
                           z3="4.12525"
                           zFract="0.18565482"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.58286"
                           xFract="0.06905924"
                           y3="3.79602"
                           yFract="0.4497654"
                           z3="9.62574"
                           zFract="0.43320162"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20688"
                           xFract="0.26147867"
                           y3="6.32003"
                           yFract="0.74881872"
                           z3="4.29155"
                           zFract="0.19313906"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93789"
                           xFract="0.22960782"
                           y3="6.4112"
                           yFract="0.75962085"
                           z3="8.47881"
                           zFract="0.38158461"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23104"
                           xFract="0.50130806"
                           y3="6.33447"
                           yFract="0.75052962"
                           z3="6.26228"
                           zFract="0.28183078"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42766"
                           xFract="0.76157109"
                           y3="4.30073"
                           yFract="0.50956517"
                           z3="6.30414"
                           zFract="0.28371467"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1865"
                           xFract="0.49603081"
                           y3="4.36115"
                           yFract="0.51672393"
                           z3="4.29947"
                           zFract="0.1934955"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.12114"
                           xFract="0.48828673"
                           y3="4.31088"
                           yFract="0.51076777"
                           z3="8.52157"
                           zFract="0.383509"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18519"
                           xFract="0.73284242"
                           y3="6.36356"
                           yFract="0.7539763"
                           z3="4.21992"
                           zFract="0.18991539"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5348"
                           xFract="0.7742654"
                           y3="6.04546"
                           yFract="0.71628673"
                           z3="8.43668"
                           zFract="0.37968857"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.191">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26355"
                           xFract="0.0312263"
                           y3="3.93206"
                           yFract="0.46588389"
                           z3="10.53111"
                           zFract="0.47394734"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04913"
                           xFract="-0.00582109"
                           y3="6.48749"
                           yFract="0.76865995"
                           z3="8.45075"
                           zFract="0.38032178"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33782"
                           xFract="0.75092654"
                           y3="0.00924"
                           yFract="0.00109479"
                           z3="4.24803"
                           zFract="0.19118047"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.22927"
                           xFract="0.02716469"
                           y3="2.00419"
                           yFract="0.23746327"
                           z3="9.00003"
                           zFract="0.40504185"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36323"
                           xFract="0.7539372"
                           y3="6.31567"
                           yFract="0.74830213"
                           z3="6.36224"
                           zFract="0.28632943"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20472"
                           xFract="0.49818957"
                           y3="6.33446"
                           yFract="0.75052844"
                           z3="4.23138"
                           zFract="0.19043114"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41714"
                           xFract="0.99729147"
                           y3="0.0751"
                           yFract="0.0088981"
                           z3="6.36608"
                           zFract="0.28650225"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41858"
                           xFract="0.99746209"
                           y3="2.10833"
                           yFract="0.24980213"
                           z3="4.19762"
                           zFract="0.18891179"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13846"
                           xFract="0.25337204"
                           y3="4.32269"
                           yFract="0.51216706"
                           z3="8.54538"
                           zFract="0.38458056"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08758"
                           xFract="0.2473436"
                           y3="4.20659"
                           yFract="0.49841114"
                           z3="4.27575"
                           zFract="0.19242799"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0679"
                           xFract="0.24501185"
                           y3="6.3473"
                           yFract="0.75204976"
                           z3="6.38217"
                           zFract="0.28722637"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09663"
                           xFract="0.24841588"
                           y3="0.0084"
                           yFract="0.00099526"
                           z3="4.23034"
                           zFract="0.19038434"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26434"
                           xFract="0.50525355"
                           y3="0.01651"
                           yFract="0.00195616"
                           z3="6.32585"
                           zFract="0.28469172"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3569"
                           xFract="0.7531872"
                           y3="2.12901"
                           yFract="0.25225237"
                           z3="6.36452"
                           zFract="0.28643204"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.63531"
                           xFract="0.78617417"
                           y3="4.08848"
                           yFract="0.48441706"
                           z3="8.64849"
                           zFract="0.38922097"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18112"
                           xFract="0.49539336"
                           y3="2.24264"
                           yFract="0.26571564"
                           z3="8.52181"
                           zFract="0.3835198"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42711"
                           xFract="0.99847275"
                           y3="6.3104"
                           yFract="0.74767773"
                           z3="4.25865"
                           zFract="0.19165842"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39448"
                           xFract="0.99460664"
                           y3="4.1751"
                           yFract="0.49468009"
                           z3="6.45567"
                           zFract="0.2905342"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21088"
                           xFract="0.49891943"
                           y3="2.11465"
                           yFract="0.25055095"
                           z3="4.22883"
                           zFract="0.19031638"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02881"
                           xFract="0.24038033"
                           y3="2.09034"
                           yFract="0.24767062"
                           z3="6.43076"
                           zFract="0.28941314"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36222"
                           xFract="0.75381754"
                           y3="4.20963"
                           yFract="0.49877133"
                           z3="4.24666"
                           zFract="0.19111881"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.52013"
                           xFract="0.53556043"
                           y3="6.29347"
                           yFract="0.7456718"
                           z3="8.51062"
                           zFract="0.3830162"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27492"
                           xFract="0.50650711"
                           y3="4.18878"
                           yFract="0.49630095"
                           z3="6.45044"
                           zFract="0.29029883"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.22981"
                           xFract="0.2641955"
                           y3="-0.06233"
                           yFract="-0.00738507"
                           z3="8.46281"
                           zFract="0.38086454"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30149"
                           xFract="0.74662204"
                           y3="0.48094"
                           yFract="0.05698341"
                           z3="8.48145"
                           zFract="0.38170342"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26628"
                           xFract="0.97941706"
                           y3="2.03152"
                           yFract="0.24070142"
                           z3="6.22905"
                           zFract="0.28033528"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16938"
                           xFract="0.25703555"
                           y3="8.43497"
                           yFract="0.99940403"
                           z3="6.31023"
                           zFract="0.28398875"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00341"
                           xFract="0.00040403"
                           y3="0.00315"
                           yFract="0.00037322"
                           z3="4.25823"
                           zFract="0.19163951"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33753"
                           xFract="0.987859"
                           y3="0.17263"
                           yFract="0.02045379"
                           z3="8.39381"
                           zFract="0.37775923"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11788"
                           xFract="0.25093365"
                           y3="2.11733"
                           yFract="0.25086848"
                           z3="4.2989"
                           zFract="0.19346985"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07835"
                           xFract="0.24625"
                           y3="1.93126"
                           yFract="0.22882227"
                           z3="8.52116"
                           zFract="0.38349055"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41602"
                           xFract="0.52322512"
                           y3="2.10514"
                           yFract="0.24942417"
                           z3="6.32506"
                           zFract="0.28465617"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33388"
                           xFract="0.75045972"
                           y3="8.33872"
                           yFract="0.9880"
                           z3="6.31197"
                           zFract="0.28406706"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21358"
                           xFract="0.49923934"
                           y3="8.31232"
                           yFract="0.98487204"
                           z3="4.20567"
                           zFract="0.18927408"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38865"
                           xFract="0.51998223"
                           y3="-0.10964"
                           yFract="-0.01299052"
                           z3="8.47777"
                           zFract="0.3815378"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29635"
                           xFract="0.74601303"
                           y3="2.07068"
                           yFract="0.24534123"
                           z3="4.04572"
                           zFract="0.18207561"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85329"
                           xFract="0.81200118"
                           y3="2.2719"
                           yFract="0.26918246"
                           z3="9.20318"
                           zFract="0.41418452"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41285"
                           xFract="0.99678318"
                           y3="6.50863"
                           yFract="0.77116469"
                           z3="6.36756"
                           zFract="0.28656886"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9371"
                           xFract="0.22951422"
                           y3="4.23974"
                           yFract="0.50233886"
                           z3="6.47479"
                           zFract="0.29139469"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02516"
                           xFract="0.00298104"
                           y3="4.19502"
                           yFract="0.49704028"
                           z3="4.12481"
                           zFract="0.18563501"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.58779"
                           xFract="0.06964336"
                           y3="3.7926"
                           yFract="0.44936019"
                           z3="9.62761"
                           zFract="0.43328578"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2072"
                           xFract="0.26151659"
                           y3="6.31996"
                           yFract="0.74881043"
                           z3="4.2914"
                           zFract="0.19313231"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93757"
                           xFract="0.22956991"
                           y3="6.41181"
                           yFract="0.75969313"
                           z3="8.47808"
                           zFract="0.38155176"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23134"
                           xFract="0.5013436"
                           y3="6.33473"
                           yFract="0.75056043"
                           z3="6.26109"
                           zFract="0.28177723"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42681"
                           xFract="0.76147038"
                           y3="4.30071"
                           yFract="0.5095628"
                           z3="6.30399"
                           zFract="0.28370792"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18643"
                           xFract="0.49602251"
                           y3="4.36034"
                           yFract="0.51662796"
                           z3="4.29854"
                           zFract="0.19345365"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11994"
                           xFract="0.48814455"
                           y3="4.31253"
                           yFract="0.51096327"
                           z3="8.52181"
                           zFract="0.3835198"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18491"
                           xFract="0.73280924"
                           y3="6.36328"
                           yFract="0.75394313"
                           z3="4.21887"
                           zFract="0.18986814"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53584"
                           xFract="0.77438863"
                           y3="6.04381"
                           yFract="0.71609123"
                           z3="8.43671"
                           zFract="0.37968992"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.192">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26338"
                           xFract="0.03120616"
                           y3="3.93122"
                           yFract="0.46578436"
                           z3="10.53191"
                           zFract="0.47398335"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04914"
                           xFract="-0.00582227"
                           y3="6.48805"
                           yFract="0.7687263"
                           z3="8.45033"
                           zFract="0.38030288"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33763"
                           xFract="0.75090403"
                           y3="0.00941"
                           yFract="0.00111493"
                           z3="4.24794"
                           zFract="0.19117642"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23051"
                           xFract="0.02731161"
                           y3="2.00348"
                           yFract="0.23737915"
                           z3="9.00021"
                           zFract="0.40504995"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36301"
                           xFract="0.75391114"
                           y3="6.31573"
                           yFract="0.74830924"
                           z3="6.36199"
                           zFract="0.28631818"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20463"
                           xFract="0.49817891"
                           y3="6.33463"
                           yFract="0.75054858"
                           z3="4.23107"
                           zFract="0.19041719"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41694"
                           xFract="0.99726777"
                           y3="0.07541"
                           yFract="0.00893483"
                           z3="6.36614"
                           zFract="0.28650495"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41854"
                           xFract="0.99745735"
                           y3="2.10851"
                           yFract="0.24982346"
                           z3="4.19773"
                           zFract="0.18891674"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13824"
                           xFract="0.25334597"
                           y3="4.32342"
                           yFract="0.51225355"
                           z3="8.54545"
                           zFract="0.38458371"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08763"
                           xFract="0.24734953"
                           y3="4.20663"
                           yFract="0.49841588"
                           z3="4.27589"
                           zFract="0.19243429"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06782"
                           xFract="0.24500237"
                           y3="6.3472"
                           yFract="0.75203791"
                           z3="6.38195"
                           zFract="0.28721647"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09673"
                           xFract="0.24842773"
                           y3="0.00842"
                           yFract="0.00099763"
                           z3="4.23049"
                           zFract="0.19039109"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26435"
                           xFract="0.50525474"
                           y3="0.01651"
                           yFract="0.00195616"
                           z3="6.32598"
                           zFract="0.28469757"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35707"
                           xFract="0.75320735"
                           y3="2.12909"
                           yFract="0.25226185"
                           z3="6.36518"
                           zFract="0.28646175"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.63671"
                           xFract="0.78634005"
                           y3="4.08861"
                           yFract="0.48443246"
                           z3="8.64861"
                           zFract="0.38922637"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18113"
                           xFract="0.49539455"
                           y3="2.24404"
                           yFract="0.26588152"
                           z3="8.52177"
                           zFract="0.383518"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42718"
                           xFract="0.99848104"
                           y3="6.3105"
                           yFract="0.74768957"
                           z3="4.25855"
                           zFract="0.19165392"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39439"
                           xFract="0.99459597"
                           y3="4.17504"
                           yFract="0.49467299"
                           z3="6.45596"
                           zFract="0.29054725"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21089"
                           xFract="0.49892062"
                           y3="2.11468"
                           yFract="0.2505545"
                           z3="4.22897"
                           zFract="0.19032268"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02895"
                           xFract="0.24039692"
                           y3="2.09018"
                           yFract="0.24765166"
                           z3="6.43107"
                           zFract="0.28942709"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36233"
                           xFract="0.75383057"
                           y3="4.20964"
                           yFract="0.49877251"
                           z3="4.24672"
                           zFract="0.19112151"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.52074"
                           xFract="0.5356327"
                           y3="6.29345"
                           yFract="0.74566943"
                           z3="8.51129"
                           zFract="0.38304635"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27494"
                           xFract="0.50650948"
                           y3="4.18901"
                           yFract="0.4963282"
                           z3="6.45049"
                           zFract="0.29030108"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.23073"
                           xFract="0.2643045"
                           y3="-0.06269"
                           yFract="-0.00742773"
                           z3="8.46287"
                           zFract="0.38086724"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30133"
                           xFract="0.74660308"
                           y3="0.48079"
                           yFract="0.05696564"
                           z3="8.4815"
                           zFract="0.38170567"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26645"
                           xFract="0.9794372"
                           y3="2.03194"
                           yFract="0.24075118"
                           z3="6.22869"
                           zFract="0.28031908"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16943"
                           xFract="0.25704147"
                           y3="8.43478"
                           yFract="0.99938152"
                           z3="6.31013"
                           zFract="0.28398425"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0035"
                           xFract="0.00041469"
                           y3="0.0033"
                           yFract="0.000391"
                           z3="4.25836"
                           zFract="0.19164536"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33696"
                           xFract="0.98779147"
                           y3="0.17265"
                           yFract="0.02045616"
                           z3="8.3935"
                           zFract="0.37774527"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11795"
                           xFract="0.25094194"
                           y3="2.1173"
                           yFract="0.25086493"
                           z3="4.2990"
                           zFract="0.19347435"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07879"
                           xFract="0.24630213"
                           y3="1.93038"
                           yFract="0.22871801"
                           z3="8.52149"
                           zFract="0.3835054"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41625"
                           xFract="0.52325237"
                           y3="2.10517"
                           yFract="0.24942773"
                           z3="6.32569"
                           zFract="0.28468452"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3337"
                           xFract="0.75043839"
                           y3="8.33873"
                           yFract="0.98800118"
                           z3="6.31166"
                           zFract="0.28405311"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21352"
                           xFract="0.49923223"
                           y3="8.31237"
                           yFract="0.98487796"
                           z3="4.20562"
                           zFract="0.18927183"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.38935"
                           xFract="0.52006517"
                           y3="-0.11052"
                           yFract="-0.01309479"
                           z3="8.4784"
                           zFract="0.38156616"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29629"
                           xFract="0.74600592"
                           y3="2.07087"
                           yFract="0.24536374"
                           z3="4.04564"
                           zFract="0.18207201"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85351"
                           xFract="0.81202725"
                           y3="2.27213"
                           yFract="0.26920972"
                           z3="9.20283"
                           zFract="0.41416877"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41252"
                           xFract="0.99674408"
                           y3="6.50879"
                           yFract="0.77118365"
                           z3="6.36755"
                           zFract="0.28656841"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93711"
                           xFract="0.2295154"
                           y3="4.23992"
                           yFract="0.50236019"
                           z3="6.47482"
                           zFract="0.29139604"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02528"
                           xFract="0.00299526"
                           y3="4.1952"
                           yFract="0.49706161"
                           z3="4.1248"
                           zFract="0.18563456"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.58941"
                           xFract="0.06983531"
                           y3="3.79117"
                           yFract="0.44919076"
                           z3="9.62838"
                           zFract="0.43332043"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20737"
                           xFract="0.26153673"
                           y3="6.31998"
                           yFract="0.7488128"
                           z3="4.29132"
                           zFract="0.19312871"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93732"
                           xFract="0.22954028"
                           y3="6.41183"
                           yFract="0.7596955"
                           z3="8.47781"
                           zFract="0.3815396"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23151"
                           xFract="0.50136374"
                           y3="6.33474"
                           yFract="0.75056161"
                           z3="6.26062"
                           zFract="0.28175608"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4266"
                           xFract="0.7614455"
                           y3="4.30067"
                           yFract="0.50955806"
                           z3="6.30385"
                           zFract="0.28370162"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18645"
                           xFract="0.49602488"
                           y3="4.3602"
                           yFract="0.51661137"
                           z3="4.29833"
                           zFract="0.19344419"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11949"
                           xFract="0.48809123"
                           y3="4.31336"
                           yFract="0.51106161"
                           z3="8.52194"
                           zFract="0.38352565"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18492"
                           xFract="0.73281043"
                           y3="6.36329"
                           yFract="0.75394431"
                           z3="4.21861"
                           zFract="0.18985644"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53636"
                           xFract="0.77445024"
                           y3="6.04339"
                           yFract="0.71604147"
                           z3="8.43674"
                           zFract="0.37969127"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.193">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26288"
                           xFract="0.03114692"
                           y3="3.92868"
                           yFract="0.46548341"
                           z3="10.5343"
                           zFract="0.47409091"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04916"
                           xFract="-0.00582464"
                           y3="6.48974"
                           yFract="0.76892654"
                           z3="8.44907"
                           zFract="0.38024617"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33707"
                           xFract="0.75083768"
                           y3="0.00992"
                           yFract="0.00117536"
                           z3="4.24767"
                           zFract="0.19116427"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.23424"
                           xFract="0.02775355"
                           y3="2.00138"
                           yFract="0.23713033"
                           z3="9.00077"
                           zFract="0.40507516"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36236"
                           xFract="0.75383412"
                           y3="6.31589"
                           yFract="0.7483282"
                           z3="6.36124"
                           zFract="0.28628443"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20437"
                           xFract="0.4981481"
                           y3="6.33516"
                           yFract="0.75061137"
                           z3="4.23013"
                           zFract="0.19037489"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41635"
                           xFract="0.99719787"
                           y3="0.07633"
                           yFract="0.00904384"
                           z3="6.36633"
                           zFract="0.2865135"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4184"
                           xFract="0.99744076"
                           y3="2.10904"
                           yFract="0.24988626"
                           z3="4.19806"
                           zFract="0.18893159"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13761"
                           xFract="0.25327133"
                           y3="4.32563"
                           yFract="0.5125154"
                           z3="8.54568"
                           zFract="0.38459406"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08777"
                           xFract="0.24736611"
                           y3="4.20673"
                           yFract="0.49842773"
                           z3="4.2763"
                           zFract="0.19245275"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06758"
                           xFract="0.24497393"
                           y3="6.34691"
                           yFract="0.75200355"
                           z3="6.38128"
                           zFract="0.28718632"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09703"
                           xFract="0.24846327"
                           y3="0.0085"
                           yFract="0.00100711"
                           z3="4.23091"
                           zFract="0.19040999"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26436"
                           xFract="0.50525592"
                           y3="0.01649"
                           yFract="0.00195379"
                           z3="6.32639"
                           zFract="0.28471602"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35758"
                           xFract="0.75326777"
                           y3="2.12934"
                           yFract="0.25229147"
                           z3="6.36717"
                           zFract="0.28655131"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.64094"
                           xFract="0.78684123"
                           y3="4.08902"
                           yFract="0.48448104"
                           z3="8.64899"
                           zFract="0.38924347"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18115"
                           xFract="0.49539692"
                           y3="2.24822"
                           yFract="0.26637678"
                           z3="8.52164"
                           zFract="0.38351215"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42738"
                           xFract="0.99850474"
                           y3="6.3108"
                           yFract="0.74772512"
                           z3="4.25824"
                           zFract="0.19163996"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39412"
                           xFract="0.99456398"
                           y3="4.17484"
                           yFract="0.49464929"
                           z3="6.45685"
                           zFract="0.29058731"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21093"
                           xFract="0.49892536"
                           y3="2.11477"
                           yFract="0.25056517"
                           z3="4.22937"
                           zFract="0.19034068"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.02937"
                           xFract="0.24044668"
                           y3="2.08971"
                           yFract="0.24759597"
                           z3="6.43199"
                           zFract="0.2894685"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36267"
                           xFract="0.75387085"
                           y3="4.20968"
                           yFract="0.49877725"
                           z3="4.2469"
                           zFract="0.19112961"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.52258"
                           xFract="0.53585071"
                           y3="6.29338"
                           yFract="0.74566114"
                           z3="8.51329"
                           zFract="0.38313636"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2750"
                           xFract="0.50651659"
                           y3="4.18972"
                           yFract="0.49641232"
                           z3="6.45066"
                           zFract="0.29030873"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.23348"
                           xFract="0.26463033"
                           y3="-0.06376"
                           yFract="-0.0075545"
                           z3="8.46305"
                           zFract="0.38087534"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30085"
                           xFract="0.74654621"
                           y3="0.48031"
                           yFract="0.05690877"
                           z3="8.48164"
                           zFract="0.38171197"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26697"
                           xFract="0.97949882"
                           y3="2.0332"
                           yFract="0.24090047"
                           z3="6.2276"
                           zFract="0.28027003"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16959"
                           xFract="0.25706043"
                           y3="8.43424"
                           yFract="0.99931754"
                           z3="6.30984"
                           zFract="0.2839712"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00379"
                           xFract="0.00044905"
                           y3="0.00378"
                           yFract="0.00044787"
                           z3="4.25875"
                           zFract="0.19166292"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33525"
                           xFract="0.98758886"
                           y3="0.1727"
                           yFract="0.02046209"
                           z3="8.39255"
                           zFract="0.37770252"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11819"
                           xFract="0.25097038"
                           y3="2.11718"
                           yFract="0.25085071"
                           z3="4.2993"
                           zFract="0.19348785"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0801"
                           xFract="0.24645735"
                           y3="1.92773"
                           yFract="0.22840403"
                           z3="8.52247"
                           zFract="0.3835495"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41693"
                           xFract="0.52333294"
                           y3="2.10525"
                           yFract="0.2494372"
                           z3="6.32758"
                           zFract="0.28476958"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33317"
                           xFract="0.75037559"
                           y3="8.33877"
                           yFract="0.98800592"
                           z3="6.31073"
                           zFract="0.28401125"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21332"
                           xFract="0.49920853"
                           y3="8.31253"
                           yFract="0.98489692"
                           z3="4.20547"
                           zFract="0.18926508"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.39144"
                           xFract="0.5203128"
                           y3="-0.11316"
                           yFract="-0.01340758"
                           z3="8.48028"
                           zFract="0.38165077"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29613"
                           xFract="0.74598697"
                           y3="2.07145"
                           yFract="0.24543246"
                           z3="4.04542"
                           zFract="0.18206211"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85419"
                           xFract="0.81210782"
                           y3="2.27283"
                           yFract="0.26929265"
                           z3="9.20178"
                           zFract="0.41412151"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41153"
                           xFract="0.99662678"
                           y3="6.50926"
                           yFract="0.77123934"
                           z3="6.36754"
                           zFract="0.28656796"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93715"
                           xFract="0.22952014"
                           y3="4.24045"
                           yFract="0.50242299"
                           z3="6.47491"
                           zFract="0.29140009"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02562"
                           xFract="0.00303555"
                           y3="4.19574"
                           yFract="0.49712559"
                           z3="4.12477"
                           zFract="0.18563321"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.59428"
                           xFract="0.07041232"
                           y3="3.7869"
                           yFract="0.44868483"
                           z3="9.63067"
                           zFract="0.43342349"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2079"
                           xFract="0.26159953"
                           y3="6.32005"
                           yFract="0.74882109"
                           z3="4.29107"
                           zFract="0.19311746"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93658"
                           xFract="0.22945261"
                           y3="6.41189"
                           yFract="0.75970261"
                           z3="8.47701"
                           zFract="0.3815036"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23203"
                           xFract="0.50142536"
                           y3="6.33479"
                           yFract="0.75056754"
                           z3="6.25922"
                           zFract="0.28169307"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42596"
                           xFract="0.76136967"
                           y3="4.30058"
                           yFract="0.50954739"
                           z3="6.30343"
                           zFract="0.28368272"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1865"
                           xFract="0.49603081"
                           y3="4.35976"
                           yFract="0.51655924"
                           z3="4.29769"
                           zFract="0.19341539"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11813"
                           xFract="0.48793009"
                           y3="4.31585"
                           yFract="0.51135664"
                           z3="8.52231"
                           zFract="0.3835423"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18492"
                           xFract="0.73281043"
                           y3="6.36331"
                           yFract="0.75394668"
                           z3="4.21783"
                           zFract="0.18982133"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.53795"
                           xFract="0.77463863"
                           y3="6.04215"
                           yFract="0.71589455"
                           z3="8.43683"
                           zFract="0.37969532"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.194">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26188"
                           xFract="0.03102844"
                           y3="3.92361"
                           yFract="0.4648827"
                           z3="10.53907"
                           zFract="0.47430558"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04921"
                           xFract="-0.00583057"
                           y3="6.49312"
                           yFract="0.76932701"
                           z3="8.44654"
                           zFract="0.38013231"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33594"
                           xFract="0.75070379"
                           y3="0.01095"
                           yFract="0.00129739"
                           z3="4.24712"
                           zFract="0.19113951"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24169"
                           xFract="0.02863626"
                           y3="1.99717"
                           yFract="0.23663152"
                           z3="9.00189"
                           zFract="0.40512556"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36105"
                           xFract="0.75367891"
                           y3="6.31621"
                           yFract="0.74836611"
                           z3="6.35973"
                           zFract="0.28621647"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20385"
                           xFract="0.49808649"
                           y3="6.33621"
                           yFract="0.75073578"
                           z3="4.22825"
                           zFract="0.19029028"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41517"
                           xFract="0.99705806"
                           y3="0.07817"
                           yFract="0.00926185"
                           z3="6.3667"
                           zFract="0.28653015"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41814"
                           xFract="0.99740995"
                           y3="2.11011"
                           yFract="0.25001303"
                           z3="4.19872"
                           zFract="0.1889613"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13634"
                           xFract="0.25312085"
                           y3="4.33003"
                           yFract="0.51303673"
                           z3="8.54614"
                           zFract="0.38461476"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08806"
                           xFract="0.24740047"
                           y3="4.20695"
                           yFract="0.49845379"
                           z3="4.27712"
                           zFract="0.19248965"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0671"
                           xFract="0.24491706"
                           y3="6.34631"
                           yFract="0.75193246"
                           z3="6.37994"
                           zFract="0.28712601"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09763"
                           xFract="0.24853436"
                           y3="0.00864"
                           yFract="0.0010237"
                           z3="4.23176"
                           zFract="0.19044824"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2644"
                           xFract="0.50526066"
                           y3="0.01646"
                           yFract="0.00195024"
                           z3="6.32721"
                           zFract="0.28475293"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3586"
                           xFract="0.75338863"
                           y3="2.12983"
                           yFract="0.25234953"
                           z3="6.37115"
                           zFract="0.28673042"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.64939"
                           xFract="0.78784242"
                           y3="4.08983"
                           yFract="0.48457701"
                           z3="8.64975"
                           zFract="0.38927768"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18121"
                           xFract="0.49540403"
                           y3="2.2566"
                           yFract="0.26736967"
                           z3="8.52138"
                           zFract="0.38350045"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42778"
                           xFract="0.99855213"
                           y3="6.31141"
                           yFract="0.74779739"
                           z3="4.25763"
                           zFract="0.19161251"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39359"
                           xFract="0.99450118"
                           y3="4.17446"
                           yFract="0.49460427"
                           z3="6.45863"
                           zFract="0.29066742"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21102"
                           xFract="0.49893602"
                           y3="2.11496"
                           yFract="0.25058768"
                           z3="4.23019"
                           zFract="0.19037759"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03021"
                           xFract="0.24054621"
                           y3="2.08877"
                           yFract="0.2474846"
                           z3="6.43383"
                           zFract="0.28955131"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36334"
                           xFract="0.75395024"
                           y3="4.20977"
                           yFract="0.49878791"
                           z3="4.24726"
                           zFract="0.19114581"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.52626"
                           xFract="0.53628673"
                           y3="6.29324"
                           yFract="0.74564455"
                           z3="8.51728"
                           zFract="0.38331593"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27513"
                           xFract="0.50653199"
                           y3="4.19113"
                           yFract="0.49657938"
                           z3="6.4510"
                           zFract="0.29032403"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.23898"
                           xFract="0.26528199"
                           y3="-0.0659"
                           yFract="-0.00780806"
                           z3="8.46342"
                           zFract="0.38089199"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2999"
                           xFract="0.74643365"
                           y3="0.47937"
                           yFract="0.05679739"
                           z3="8.48191"
                           zFract="0.38172412"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26801"
                           xFract="0.97962204"
                           y3="2.03572"
                           yFract="0.24119905"
                           z3="6.22543"
                           zFract="0.28017237"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16989"
                           xFract="0.25709597"
                           y3="8.43314"
                           yFract="0.9991872"
                           z3="6.30927"
                           zFract="0.28394554"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00436"
                           xFract="0.00051659"
                           y3="0.00473"
                           yFract="0.00056043"
                           z3="4.25953"
                           zFract="0.19169802"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33183"
                           xFract="0.98718365"
                           y3="0.17282"
                           yFract="0.0204763"
                           z3="8.39065"
                           zFract="0.37761701"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11866"
                           xFract="0.25102607"
                           y3="2.11696"
                           yFract="0.25082464"
                           z3="4.29991"
                           zFract="0.1935153"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08273"
                           xFract="0.24676896"
                           y3="1.92243"
                           yFract="0.22777607"
                           z3="8.52444"
                           zFract="0.38363816"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41829"
                           xFract="0.52349408"
                           y3="2.10543"
                           yFract="0.24945853"
                           z3="6.33136"
                           zFract="0.28493969"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33209"
                           xFract="0.75024763"
                           y3="8.33884"
                           yFract="0.98801422"
                           z3="6.30888"
                           zFract="0.28392799"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21292"
                           xFract="0.49916114"
                           y3="8.31285"
                           yFract="0.98493483"
                           z3="4.20518"
                           zFract="0.18925203"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.39562"
                           xFract="0.52080806"
                           y3="-0.11844"
                           yFract="-0.01403318"
                           z3="8.48404"
                           zFract="0.38181998"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29582"
                           xFract="0.74595024"
                           y3="2.0726"
                           yFract="0.24556872"
                           z3="4.04497"
                           zFract="0.18204185"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85556"
                           xFract="0.81227014"
                           y3="2.27423"
                           yFract="0.26945853"
                           z3="9.19966"
                           zFract="0.4140261"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40955"
                           xFract="0.99639218"
                           y3="6.51021"
                           yFract="0.7713519"
                           z3="6.3675"
                           zFract="0.28656616"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93723"
                           xFract="0.22952962"
                           y3="4.2415"
                           yFract="0.50254739"
                           z3="6.47508"
                           zFract="0.29140774"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0263"
                           xFract="0.00311611"
                           y3="4.19682"
                           yFract="0.49725355"
                           z3="4.1247"
                           zFract="0.18563006"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.6040"
                           xFract="0.07156398"
                           y3="3.77835"
                           yFract="0.4476718"
                           z3="9.63526"
                           zFract="0.43363006"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20896"
                           xFract="0.26172512"
                           y3="6.3202"
                           yFract="0.74883886"
                           z3="4.29059"
                           zFract="0.19309586"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.9351"
                           xFract="0.22927725"
                           y3="6.41201"
                           yFract="0.75971682"
                           z3="8.47542"
                           zFract="0.38143204"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23305"
                           xFract="0.50154621"
                           y3="6.33487"
                           yFract="0.75057701"
                           z3="6.25643"
                           zFract="0.28156751"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42468"
                           xFract="0.76121801"
                           y3="4.30039"
                           yFract="0.50952488"
                           z3="6.30259"
                           zFract="0.28364491"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1866"
                           xFract="0.49604265"
                           y3="4.35889"
                           yFract="0.51645616"
                           z3="4.29641"
                           zFract="0.19335779"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11543"
                           xFract="0.48761019"
                           y3="4.32085"
                           yFract="0.51194905"
                           z3="8.52305"
                           zFract="0.38357561"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18493"
                           xFract="0.73281161"
                           y3="6.36335"
                           yFract="0.75395142"
                           z3="4.21627"
                           zFract="0.18975113"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54111"
                           xFract="0.77501303"
                           y3="6.03967"
                           yFract="0.71560071"
                           z3="8.4370"
                           zFract="0.37970297"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.195">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26195"
                           xFract="0.03103673"
                           y3="3.92305"
                           yFract="0.46481635"
                           z3="10.5391"
                           zFract="0.47430693"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0492"
                           xFract="-0.00582938"
                           y3="6.49342"
                           yFract="0.76936256"
                           z3="8.44631"
                           zFract="0.38012196"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33586"
                           xFract="0.75069431"
                           y3="0.01104"
                           yFract="0.00130806"
                           z3="4.24706"
                           zFract="0.19113681"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24236"
                           xFract="0.02871564"
                           y3="1.99677"
                           yFract="0.23658412"
                           z3="9.00198"
                           zFract="0.40512961"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36093"
                           xFract="0.75366469"
                           y3="6.31623"
                           yFract="0.74836848"
                           z3="6.35958"
                           zFract="0.28620972"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20383"
                           xFract="0.49808412"
                           y3="6.33623"
                           yFract="0.75073815"
                           z3="4.22808"
                           zFract="0.19028263"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41506"
                           xFract="0.99704502"
                           y3="0.07834"
                           yFract="0.00928199"
                           z3="6.36672"
                           zFract="0.28653105"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41812"
                           xFract="0.99740758"
                           y3="2.1102"
                           yFract="0.2500237"
                           z3="4.19881"
                           zFract="0.18896535"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13622"
                           xFract="0.25310664"
                           y3="4.33049"
                           yFract="0.51309123"
                           z3="8.54618"
                           zFract="0.38461656"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08809"
                           xFract="0.24740403"
                           y3="4.20697"
                           yFract="0.49845616"
                           z3="4.27718"
                           zFract="0.19249235"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06707"
                           xFract="0.24491351"
                           y3="6.34628"
                           yFract="0.75192891"
                           z3="6.37983"
                           zFract="0.28712106"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09768"
                           xFract="0.24854028"
                           y3="0.00866"
                           yFract="0.00102607"
                           z3="4.23182"
                           zFract="0.19045095"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26441"
                           xFract="0.50526185"
                           y3="0.01644"
                           yFract="0.00194787"
                           z3="6.3273"
                           zFract="0.28475698"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35869"
                           xFract="0.75339929"
                           y3="2.12989"
                           yFract="0.25235664"
                           z3="6.37152"
                           zFract="0.28674707"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.65021"
                           xFract="0.78793957"
                           y3="4.08989"
                           yFract="0.48458412"
                           z3="8.64982"
                           zFract="0.38928083"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18122"
                           xFract="0.49540521"
                           y3="2.25738"
                           yFract="0.26746209"
                           z3="8.52137"
                           zFract="0.3835"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4278"
                           xFract="0.9985545"
                           y3="6.31146"
                           yFract="0.74780332"
                           z3="4.25758"
                           zFract="0.19161026"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39354"
                           xFract="0.99449526"
                           y3="4.17443"
                           yFract="0.49460071"
                           z3="6.45879"
                           zFract="0.29067462"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21104"
                           xFract="0.49893839"
                           y3="2.11499"
                           yFract="0.25059123"
                           z3="4.23028"
                           zFract="0.19038164"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03028"
                           xFract="0.2405545"
                           y3="2.08869"
                           yFract="0.24747512"
                           z3="6.4340"
                           zFract="0.28955896"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3634"
                           xFract="0.75395735"
                           y3="4.20979"
                           yFract="0.49879028"
                           z3="4.24729"
                           zFract="0.19114716"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.52662"
                           xFract="0.53632938"
                           y3="6.2932"
                           yFract="0.74563981"
                           z3="8.51767"
                           zFract="0.38333348"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27514"
                           xFract="0.50653318"
                           y3="4.19128"
                           yFract="0.49659716"
                           z3="6.45102"
                           zFract="0.29032493"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.23953"
                           xFract="0.26534716"
                           y3="-0.06611"
                           yFract="-0.00783294"
                           z3="8.46346"
                           zFract="0.38089379"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29979"
                           xFract="0.74642062"
                           y3="0.47932"
                           yFract="0.05679147"
                           z3="8.48197"
                           zFract="0.38172682"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26813"
                           xFract="0.97963626"
                           y3="2.03594"
                           yFract="0.24122512"
                           z3="6.22522"
                           zFract="0.28016292"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.16995"
                           xFract="0.25710308"
                           y3="8.43305"
                           yFract="0.99917654"
                           z3="6.30921"
                           zFract="0.28394284"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00439"
                           xFract="0.00052014"
                           y3="0.00485"
                           yFract="0.00057464"
                           z3="4.2596"
                           zFract="0.19170117"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33152"
                           xFract="0.98714692"
                           y3="0.17284"
                           yFract="0.02047867"
                           z3="8.39048"
                           zFract="0.37760936"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11869"
                           xFract="0.25102962"
                           y3="2.11693"
                           yFract="0.25082109"
                           z3="4.29999"
                           zFract="0.1935189"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08295"
                           xFract="0.24679502"
                           y3="1.9219"
                           yFract="0.22771327"
                           z3="8.52462"
                           zFract="0.38364626"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41842"
                           xFract="0.52350948"
                           y3="2.10543"
                           yFract="0.24945853"
                           z3="6.33173"
                           zFract="0.28495635"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33199"
                           xFract="0.75023578"
                           y3="8.33886"
                           yFract="0.98801659"
                           z3="6.30869"
                           zFract="0.28391944"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21288"
                           xFract="0.4991564"
                           y3="8.31291"
                           yFract="0.98494194"
                           z3="4.20516"
                           zFract="0.18925113"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.39602"
                           xFract="0.52085545"
                           y3="-0.11898"
                           yFract="-0.01409716"
                           z3="8.48435"
                           zFract="0.38183393"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29578"
                           xFract="0.7459455"
                           y3="2.0727"
                           yFract="0.24558057"
                           z3="4.04495"
                           zFract="0.18204095"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85578"
                           xFract="0.81229621"
                           y3="2.27433"
                           yFract="0.26947038"
                           z3="9.19946"
                           zFract="0.4140171"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40936"
                           xFract="0.99636967"
                           y3="6.51029"
                           yFract="0.77136137"
                           z3="6.36747"
                           zFract="0.28656481"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93724"
                           xFract="0.22953081"
                           y3="4.24156"
                           yFract="0.5025545"
                           z3="6.47512"
                           zFract="0.29140954"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02635"
                           xFract="0.00312204"
                           y3="4.19692"
                           yFract="0.4972654"
                           z3="4.12471"
                           zFract="0.18563051"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.60477"
                           xFract="0.07165521"
                           y3="3.77757"
                           yFract="0.44757938"
                           z3="9.6362"
                           zFract="0.43367237"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20904"
                           xFract="0.2617346"
                           y3="6.32022"
                           yFract="0.74884123"
                           z3="4.29053"
                           zFract="0.19309316"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93493"
                           xFract="0.22925711"
                           y3="6.41205"
                           yFract="0.75972156"
                           z3="8.47528"
                           zFract="0.38142574"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23315"
                           xFract="0.50155806"
                           y3="6.33488"
                           yFract="0.7505782"
                           z3="6.25614"
                           zFract="0.28155446"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42457"
                           xFract="0.76120498"
                           y3="4.30039"
                           yFract="0.50952488"
                           z3="6.30249"
                           zFract="0.28364041"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18661"
                           xFract="0.49604384"
                           y3="4.35884"
                           yFract="0.51645024"
                           z3="4.29631"
                           zFract="0.19335329"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11517"
                           xFract="0.48757938"
                           y3="4.32136"
                           yFract="0.51200948"
                           z3="8.52312"
                           zFract="0.38357876"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18493"
                           xFract="0.73281161"
                           y3="6.36337"
                           yFract="0.75395379"
                           z3="4.21612"
                           zFract="0.18974437"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54142"
                           xFract="0.77504976"
                           y3="6.03946"
                           yFract="0.71557583"
                           z3="8.43702"
                           zFract="0.37970387"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.196">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26216"
                           xFract="0.03106161"
                           y3="3.92137"
                           yFract="0.4646173"
                           z3="10.53918"
                           zFract="0.47431053"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04919"
                           xFract="-0.0058282"
                           y3="6.49434"
                           yFract="0.76947156"
                           z3="8.44561"
                           zFract="0.38009046"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33561"
                           xFract="0.75066469"
                           y3="0.01131"
                           yFract="0.00134005"
                           z3="4.24691"
                           zFract="0.19113006"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24435"
                           xFract="0.02895142"
                           y3="1.99559"
                           yFract="0.23644431"
                           z3="9.00227"
                           zFract="0.40514266"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36059"
                           xFract="0.75362441"
                           y3="6.31628"
                           yFract="0.74837441"
                           z3="6.35915"
                           zFract="0.28619037"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20374"
                           xFract="0.49807346"
                           y3="6.33627"
                           yFract="0.75074289"
                           z3="4.22759"
                           zFract="0.19026058"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41473"
                           xFract="0.99700592"
                           y3="0.07885"
                           yFract="0.00934242"
                           z3="6.36677"
                           zFract="0.2865333"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41807"
                           xFract="0.99740166"
                           y3="2.11046"
                           yFract="0.2500545"
                           z3="4.19909"
                           zFract="0.18897795"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13588"
                           xFract="0.25306635"
                           y3="4.33187"
                           yFract="0.51325474"
                           z3="8.5463"
                           zFract="0.38462196"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08819"
                           xFract="0.24741588"
                           y3="4.20702"
                           yFract="0.49846209"
                           z3="4.27737"
                           zFract="0.1925009"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06696"
                           xFract="0.24490047"
                           y3="6.3462"
                           yFract="0.75191943"
                           z3="6.3795"
                           zFract="0.28710621"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09785"
                           xFract="0.24856043"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="4.23199"
                           zFract="0.1904586"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26442"
                           xFract="0.50526303"
                           y3="0.0164"
                           yFract="0.00194313"
                           z3="6.32757"
                           zFract="0.28476913"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35895"
                           xFract="0.75343009"
                           y3="2.13009"
                           yFract="0.25238033"
                           z3="6.3726"
                           zFract="0.28679568"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.65269"
                           xFract="0.78823341"
                           y3="4.09009"
                           yFract="0.48460782"
                           z3="8.65001"
                           zFract="0.38928938"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18125"
                           xFract="0.49540877"
                           y3="2.25973"
                           yFract="0.26774052"
                           z3="8.52135"
                           zFract="0.3834991"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42788"
                           xFract="0.99856398"
                           y3="6.3116"
                           yFract="0.74781991"
                           z3="4.25741"
                           zFract="0.19160261"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3934"
                           xFract="0.99447867"
                           y3="4.17433"
                           yFract="0.49458886"
                           z3="6.45926"
                           zFract="0.29069577"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21111"
                           xFract="0.49894668"
                           y3="2.11507"
                           yFract="0.25060071"
                           z3="4.23056"
                           zFract="0.19039424"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0305"
                           xFract="0.24058057"
                           y3="2.08845"
                           yFract="0.24744668"
                           z3="6.43451"
                           zFract="0.28958191"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36358"
                           xFract="0.75397867"
                           y3="4.20984"
                           yFract="0.49879621"
                           z3="4.24739"
                           zFract="0.19115167"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.52771"
                           xFract="0.53645853"
                           y3="6.2931"
                           yFract="0.74562796"
                           z3="8.51882"
                           zFract="0.38338524"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27518"
                           xFract="0.50653791"
                           y3="4.19175"
                           yFract="0.49665284"
                           z3="6.45108"
                           zFract="0.29032763"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.24118"
                           xFract="0.26554265"
                           y3="-0.06675"
                           yFract="-0.00790877"
                           z3="8.4636"
                           zFract="0.38090009"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29948"
                           xFract="0.74638389"
                           y3="0.47919"
                           yFract="0.05677607"
                           z3="8.48214"
                           zFract="0.38173447"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26848"
                           xFract="0.97967773"
                           y3="2.0366"
                           yFract="0.24130332"
                           z3="6.22459"
                           zFract="0.28013456"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17013"
                           xFract="0.25712441"
                           y3="8.43276"
                           yFract="0.99914218"
                           z3="6.30904"
                           zFract="0.28393519"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00447"
                           xFract="0.00052962"
                           y3="0.00521"
                           yFract="0.0006173"
                           z3="4.25982"
                           zFract="0.19171107"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33059"
                           xFract="0.98703673"
                           y3="0.17289"
                           yFract="0.0204846"
                           z3="8.38998"
                           zFract="0.37758686"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1188"
                           xFract="0.25104265"
                           y3="2.11685"
                           yFract="0.25081161"
                           z3="4.30022"
                           zFract="0.19352925"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08362"
                           xFract="0.24687441"
                           y3="1.92033"
                           yFract="0.22752725"
                           z3="8.52517"
                           zFract="0.38367102"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41879"
                           xFract="0.52355332"
                           y3="2.10542"
                           yFract="0.24945735"
                           z3="6.33283"
                           zFract="0.28500585"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33169"
                           xFract="0.75020024"
                           y3="8.3389"
                           yFract="0.98802133"
                           z3="6.30812"
                           zFract="0.28389379"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21277"
                           xFract="0.49914336"
                           y3="8.31308"
                           yFract="0.98496209"
                           z3="4.20513"
                           zFract="0.18924977"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.39721"
                           xFract="0.52099645"
                           y3="-0.12058"
                           yFract="-0.01428673"
                           z3="8.48531"
                           zFract="0.38187714"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29567"
                           xFract="0.74593246"
                           y3="2.07298"
                           yFract="0.24561374"
                           z3="4.0449"
                           zFract="0.1820387"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85645"
                           xFract="0.81237559"
                           y3="2.27463"
                           yFract="0.26950592"
                           z3="9.19886"
                           zFract="0.4139901"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4088"
                           xFract="0.99630332"
                           y3="6.51054"
                           yFract="0.771391"
                           z3="6.36738"
                           zFract="0.28656076"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93724"
                           xFract="0.22953081"
                           y3="4.24174"
                           yFract="0.50257583"
                           z3="6.47521"
                           zFract="0.29141359"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02651"
                           xFract="0.003141"
                           y3="4.19723"
                           yFract="0.49730213"
                           z3="4.12474"
                           zFract="0.18563186"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.60707"
                           xFract="0.07192773"
                           y3="3.77523"
                           yFract="0.44730213"
                           z3="9.6390"
                           zFract="0.43379838"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20929"
                           xFract="0.26176422"
                           y3="6.32028"
                           yFract="0.74884834"
                           z3="4.29037"
                           zFract="0.19308596"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93442"
                           xFract="0.22919668"
                           y3="6.41215"
                           yFract="0.75973341"
                           z3="8.47484"
                           zFract="0.38140594"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23345"
                           xFract="0.5015936"
                           y3="6.3349"
                           yFract="0.75058057"
                           z3="6.25528"
                           zFract="0.28151575"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42424"
                           xFract="0.76116588"
                           y3="4.30037"
                           yFract="0.50952251"
                           z3="6.30222"
                           zFract="0.28362826"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18663"
                           xFract="0.49604621"
                           y3="4.35868"
                           yFract="0.51643128"
                           z3="4.29599"
                           zFract="0.19333888"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11438"
                           xFract="0.48748578"
                           y3="4.3229"
                           yFract="0.51219194"
                           z3="8.52335"
                           zFract="0.38358911"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18492"
                           xFract="0.73281043"
                           y3="6.36345"
                           yFract="0.75396327"
                           z3="4.21569"
                           zFract="0.18972502"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54235"
                           xFract="0.77515995"
                           y3="6.03882"
                           yFract="0.7155"
                           z3="8.43707"
                           zFract="0.37970612"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a40" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.197">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26257"
                           xFract="0.03111019"
                           y3="3.9180"
                           yFract="0.46421801"
                           z3="10.53935"
                           zFract="0.47431818"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04916"
                           xFract="-0.00582464"
                           y3="6.49619"
                           yFract="0.76969076"
                           z3="8.44421"
                           zFract="0.38002745"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33511"
                           xFract="0.75060545"
                           y3="0.01185"
                           yFract="0.00140403"
                           z3="4.2466"
                           zFract="0.19111611"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24834"
                           xFract="0.02942417"
                           y3="1.99322"
                           yFract="0.23616351"
                           z3="9.00285"
                           zFract="0.40516877"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3599"
                           xFract="0.75354265"
                           y3="6.31639"
                           yFract="0.74838744"
                           z3="6.35828"
                           zFract="0.28615122"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20357"
                           xFract="0.49805332"
                           y3="6.33637"
                           yFract="0.75075474"
                           z3="4.2266"
                           zFract="0.19021602"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41408"
                           xFract="0.99692891"
                           y3="0.07986"
                           yFract="0.00946209"
                           z3="6.36688"
                           zFract="0.28653825"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41798"
                           xFract="0.997391"
                           y3="2.11099"
                           yFract="0.2501173"
                           z3="4.19965"
                           zFract="0.18900315"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1352"
                           xFract="0.25298578"
                           y3="4.33462"
                           yFract="0.51358057"
                           z3="8.54654"
                           zFract="0.38463276"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08838"
                           xFract="0.24743839"
                           y3="4.20714"
                           yFract="0.4984763"
                           z3="4.27776"
                           zFract="0.19251845"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06674"
                           xFract="0.24487441"
                           y3="6.34602"
                           yFract="0.7518981"
                           z3="6.37883"
                           zFract="0.28707606"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09818"
                           xFract="0.24859953"
                           y3="0.00885"
                           yFract="0.00104858"
                           z3="4.23233"
                           zFract="0.1904739"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26446"
                           xFract="0.50526777"
                           y3="0.01631"
                           yFract="0.00193246"
                           z3="6.32811"
                           zFract="0.28479343"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35948"
                           xFract="0.75349289"
                           y3="2.13048"
                           yFract="0.25242654"
                           z3="6.37478"
                           zFract="0.28689379"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.65765"
                           xFract="0.78882109"
                           y3="4.09048"
                           yFract="0.48465403"
                           z3="8.65039"
                           zFract="0.38930648"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18131"
                           xFract="0.49541588"
                           y3="2.26441"
                           yFract="0.26829502"
                           z3="8.5213"
                           zFract="0.38349685"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42803"
                           xFract="0.99858175"
                           y3="6.31189"
                           yFract="0.74785427"
                           z3="4.25706"
                           zFract="0.19158686"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39312"
                           xFract="0.9944455"
                           y3="4.17414"
                           yFract="0.49456635"
                           z3="6.46022"
                           zFract="0.29073897"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21125"
                           xFract="0.49896327"
                           y3="2.11525"
                           yFract="0.25062204"
                           z3="4.23111"
                           zFract="0.19041899"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03092"
                           xFract="0.24063033"
                           y3="2.08797"
                           yFract="0.24738981"
                           z3="6.43553"
                           zFract="0.28962781"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36394"
                           xFract="0.75402133"
                           y3="4.20994"
                           yFract="0.49880806"
                           z3="4.24759"
                           zFract="0.19116067"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.52988"
                           xFract="0.53671564"
                           y3="6.29289"
                           yFract="0.74560308"
                           z3="8.52112"
                           zFract="0.38348875"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27526"
                           xFract="0.50654739"
                           y3="4.19268"
                           yFract="0.49676303"
                           z3="6.4512"
                           zFract="0.29033303"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.24448"
                           xFract="0.26593365"
                           y3="-0.06803"
                           yFract="-0.00806043"
                           z3="8.46387"
                           zFract="0.38091224"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29885"
                           xFract="0.74630924"
                           y3="0.47892"
                           yFract="0.05674408"
                           z3="8.48249"
                           zFract="0.38175023"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26918"
                           xFract="0.97976066"
                           y3="2.03792"
                           yFract="0.24145972"
                           z3="6.22333"
                           zFract="0.28007786"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17048"
                           xFract="0.25716588"
                           y3="8.43217"
                           yFract="0.99907227"
                           z3="6.30871"
                           zFract="0.28392034"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00462"
                           xFract="0.00054739"
                           y3="0.00592"
                           yFract="0.00070142"
                           z3="4.26026"
                           zFract="0.19173087"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32873"
                           xFract="0.98681635"
                           y3="0.17299"
                           yFract="0.02049645"
                           z3="8.38896"
                           zFract="0.37754095"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11902"
                           xFract="0.25106872"
                           y3="2.11669"
                           yFract="0.25079265"
                           z3="4.30067"
                           zFract="0.1935495"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08496"
                           xFract="0.24703318"
                           y3="1.91719"
                           yFract="0.22715521"
                           z3="8.52627"
                           zFract="0.38372052"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.41953"
                           xFract="0.523641"
                           y3="2.10541"
                           yFract="0.24945616"
                           z3="6.33504"
                           zFract="0.28510531"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33108"
                           xFract="0.75012796"
                           y3="8.33898"
                           yFract="0.98803081"
                           z3="6.30698"
                           zFract="0.28384248"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21254"
                           xFract="0.49911611"
                           y3="8.31343"
                           yFract="0.98500355"
                           z3="4.20506"
                           zFract="0.18924662"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3996"
                           xFract="0.52127962"
                           y3="-0.12378"
                           yFract="-0.01466588"
                           z3="8.48721"
                           zFract="0.38196265"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29544"
                           xFract="0.74590521"
                           y3="2.07355"
                           yFract="0.24568128"
                           z3="4.0448"
                           zFract="0.1820342"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.8578"
                           xFract="0.81253555"
                           y3="2.27523"
                           yFract="0.26957701"
                           z3="9.19766"
                           zFract="0.41393609"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40768"
                           xFract="0.99617062"
                           y3="6.51104"
                           yFract="0.77145024"
                           z3="6.36719"
                           zFract="0.28655221"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93726"
                           xFract="0.22953318"
                           y3="4.2421"
                           yFract="0.50261848"
                           z3="6.4754"
                           zFract="0.29142214"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02682"
                           xFract="0.00317773"
                           y3="4.19784"
                           yFract="0.49737441"
                           z3="4.1248"
                           zFract="0.18563456"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.61169"
                           xFract="0.07247512"
                           y3="3.77056"
                           yFract="0.44674882"
                           z3="9.6446"
                           zFract="0.43405041"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20978"
                           xFract="0.26182227"
                           y3="6.3204"
                           yFract="0.74886256"
                           z3="4.29003"
                           zFract="0.19307066"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.9334"
                           xFract="0.22907583"
                           y3="6.41235"
                           yFract="0.75975711"
                           z3="8.47397"
                           zFract="0.38136679"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23406"
                           xFract="0.50166588"
                           y3="6.33495"
                           yFract="0.75058649"
                           z3="6.25356"
                           zFract="0.28143834"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42358"
                           xFract="0.76108768"
                           y3="4.30035"
                           yFract="0.50952014"
                           z3="6.30167"
                           zFract="0.28360351"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18667"
                           xFract="0.49605095"
                           y3="4.35837"
                           yFract="0.51639455"
                           z3="4.29536"
                           zFract="0.19331053"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1128"
                           xFract="0.48729858"
                           y3="4.32598"
                           yFract="0.51255687"
                           z3="8.52382"
                           zFract="0.38361026"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18492"
                           xFract="0.73281043"
                           y3="6.36362"
                           yFract="0.75398341"
                           z3="4.21483"
                           zFract="0.18968632"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5442"
                           xFract="0.77537915"
                           y3="6.03755"
                           yFract="0.71534953"
                           z3="8.43718"
                           zFract="0.37971107"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.198">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.2634"
                           xFract="0.03120853"
                           y3="3.91127"
                           yFract="0.46342062"
                           z3="10.53967"
                           zFract="0.47433258"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0491"
                           xFract="-0.00581754"
                           y3="6.49987"
                           yFract="0.77012678"
                           z3="8.44141"
                           zFract="0.37990144"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33412"
                           xFract="0.75048815"
                           y3="0.01293"
                           yFract="0.00153199"
                           z3="4.24598"
                           zFract="0.19108821"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.25632"
                           xFract="0.03036967"
                           y3="1.98848"
                           yFract="0.2356019"
                           z3="9.00401"
                           zFract="0.40522097"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35854"
                           xFract="0.75338152"
                           y3="6.31659"
                           yFract="0.74841114"
                           z3="6.35654"
                           zFract="0.28607291"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20324"
                           xFract="0.49801422"
                           y3="6.33656"
                           yFract="0.75077725"
                           z3="4.22461"
                           zFract="0.19012646"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41278"
                           xFract="0.99677488"
                           y3="0.08189"
                           yFract="0.00970261"
                           z3="6.36709"
                           zFract="0.2865477"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41778"
                           xFract="0.9973673"
                           y3="2.11204"
                           yFract="0.25024171"
                           z3="4.20077"
                           zFract="0.18905356"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13383"
                           xFract="0.25282346"
                           y3="4.34011"
                           yFract="0.51423104"
                           z3="8.54701"
                           zFract="0.38465392"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08877"
                           xFract="0.2474846"
                           y3="4.20737"
                           yFract="0.49850355"
                           z3="4.27852"
                           zFract="0.19255266"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06631"
                           xFract="0.24482346"
                           y3="6.34566"
                           yFract="0.75185545"
                           z3="6.3775"
                           zFract="0.2870162"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09884"
                           xFract="0.24867773"
                           y3="0.0091"
                           yFract="0.0010782"
                           z3="4.23302"
                           zFract="0.19050495"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26452"
                           xFract="0.50527488"
                           y3="0.01613"
                           yFract="0.00191114"
                           z3="6.32919"
                           zFract="0.28484203"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36054"
                           xFract="0.75361848"
                           y3="2.13127"
                           yFract="0.25252014"
                           z3="6.37912"
                           zFract="0.28708911"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.66757"
                           xFract="0.78999645"
                           y3="4.09126"
                           yFract="0.48474645"
                           z3="8.65116"
                           zFract="0.38934113"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18144"
                           xFract="0.49543128"
                           y3="2.27378"
                           yFract="0.26940521"
                           z3="8.5212"
                           zFract="0.38349235"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42833"
                           xFract="0.9986173"
                           y3="6.31247"
                           yFract="0.74792299"
                           z3="4.25638"
                           zFract="0.19155626"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39257"
                           xFract="0.99438033"
                           y3="4.17374"
                           yFract="0.49451896"
                           z3="6.46212"
                           zFract="0.29082448"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21152"
                           xFract="0.49899526"
                           y3="2.11561"
                           yFract="0.25066469"
                           z3="4.23221"
                           zFract="0.1904685"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03177"
                           xFract="0.24073104"
                           y3="2.08701"
                           yFract="0.24727607"
                           z3="6.43756"
                           zFract="0.28971917"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36467"
                           xFract="0.75410782"
                           y3="4.21014"
                           yFract="0.49883175"
                           z3="4.24798"
                           zFract="0.19117822"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.53423"
                           xFract="0.53723104"
                           y3="6.29247"
                           yFract="0.74555332"
                           z3="8.52573"
                           zFract="0.38369622"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27541"
                           xFract="0.50656517"
                           y3="4.19455"
                           yFract="0.4969846"
                           z3="6.45145"
                           zFract="0.29034428"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.25108"
                           xFract="0.26671564"
                           y3="-0.07058"
                           yFract="-0.00836256"
                           z3="8.46442"
                           zFract="0.38093699"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29761"
                           xFract="0.74616232"
                           y3="0.47838"
                           yFract="0.05668009"
                           z3="8.48318"
                           zFract="0.38178128"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27057"
                           xFract="0.97992536"
                           y3="2.04056"
                           yFract="0.24177251"
                           z3="6.22081"
                           zFract="0.27996445"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1712"
                           xFract="0.25725118"
                           y3="8.43101"
                           yFract="0.99893483"
                           z3="6.30805"
                           zFract="0.28389064"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00494"
                           xFract="0.00058531"
                           y3="0.00735"
                           yFract="0.00087085"
                           z3="4.26114"
                           zFract="0.19177048"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32501"
                           xFract="0.98637559"
                           y3="0.1732"
                           yFract="0.02052133"
                           z3="8.38693"
                           zFract="0.37744959"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11945"
                           xFract="0.25111967"
                           y3="2.11637"
                           yFract="0.25075474"
                           z3="4.30157"
                           zFract="0.19359001"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08764"
                           xFract="0.24735071"
                           y3="1.91091"
                           yFract="0.22641114"
                           z3="8.52847"
                           zFract="0.38381953"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42101"
                           xFract="0.52381635"
                           y3="2.10539"
                           yFract="0.24945379"
                           z3="6.33945"
                           zFract="0.28530378"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32987"
                           xFract="0.7499846"
                           y3="8.33913"
                           yFract="0.98804858"
                           z3="6.30469"
                           zFract="0.28373942"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21207"
                           xFract="0.49906043"
                           y3="8.31413"
                           yFract="0.98508649"
                           z3="4.20492"
                           zFract="0.18924032"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40438"
                           xFract="0.52184597"
                           y3="-0.1302"
                           yFract="-0.01542654"
                           z3="8.49103"
                           zFract="0.38213456"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29499"
                           xFract="0.7458519"
                           y3="2.07469"
                           yFract="0.24581635"
                           z3="4.04459"
                           zFract="0.18202475"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.86049"
                           xFract="0.81285427"
                           y3="2.27642"
                           yFract="0.26971801"
                           z3="9.19526"
                           zFract="0.41382808"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40545"
                           xFract="0.9959064"
                           y3="6.51205"
                           yFract="0.77156991"
                           z3="6.36681"
                           zFract="0.2865351"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9373"
                           xFract="0.22953791"
                           y3="4.24281"
                           yFract="0.50270261"
                           z3="6.47577"
                           zFract="0.29143879"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02744"
                           xFract="0.00325118"
                           y3="4.19907"
                           yFract="0.49752014"
                           z3="4.12493"
                           zFract="0.18564041"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.62091"
                           xFract="0.07356754"
                           y3="3.76122"
                           yFract="0.44564218"
                           z3="9.6558"
                           zFract="0.43455446"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21077"
                           xFract="0.26193957"
                           y3="6.32064"
                           yFract="0.748891"
                           z3="4.28936"
                           zFract="0.1930405"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93137"
                           xFract="0.22883531"
                           y3="6.41276"
                           yFract="0.75980569"
                           z3="8.47223"
                           zFract="0.38128848"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23526"
                           xFract="0.50180806"
                           y3="6.33503"
                           yFract="0.75059597"
                           z3="6.25013"
                           zFract="0.28128398"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42225"
                           xFract="0.76093009"
                           y3="4.3003"
                           yFract="0.50951422"
                           z3="6.30056"
                           zFract="0.28355356"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18676"
                           xFract="0.49606161"
                           y3="4.35774"
                           yFract="0.51631991"
                           z3="4.29411"
                           zFract="0.19325428"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10964"
                           xFract="0.48692417"
                           y3="4.33215"
                           yFract="0.51328791"
                           z3="8.52475"
                           zFract="0.38365212"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18492"
                           xFract="0.73281043"
                           y3="6.36394"
                           yFract="0.75402133"
                           z3="4.21311"
                           zFract="0.18960891"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54791"
                           xFract="0.77581872"
                           y3="6.0350"
                           yFract="0.71504739"
                           z3="8.43739"
                           zFract="0.37972052"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.199">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26288"
                           xFract="0.03114692"
                           y3="3.9155"
                           yFract="0.4639218"
                           z3="10.53947"
                           zFract="0.47432358"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04914"
                           xFract="-0.00582227"
                           y3="6.49756"
                           yFract="0.76985308"
                           z3="8.44317"
                           zFract="0.37998065"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33474"
                           xFract="0.75056161"
                           y3="0.01225"
                           yFract="0.00145142"
                           z3="4.24637"
                           zFract="0.19110576"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2513"
                           xFract="0.02977488"
                           y3="1.99146"
                           yFract="0.23595498"
                           z3="9.00328"
                           zFract="0.40518812"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3594"
                           xFract="0.75348341"
                           y3="6.31646"
                           yFract="0.74839573"
                           z3="6.35763"
                           zFract="0.28612196"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20345"
                           xFract="0.4980391"
                           y3="6.33644"
                           yFract="0.75076303"
                           z3="4.22586"
                           zFract="0.19018272"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4136"
                           xFract="0.99687204"
                           y3="0.08061"
                           yFract="0.00955095"
                           z3="6.36695"
                           zFract="0.2865414"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4179"
                           xFract="0.99738152"
                           y3="2.11138"
                           yFract="0.25016351"
                           z3="4.20007"
                           zFract="0.18902205"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13469"
                           xFract="0.25292536"
                           y3="4.33666"
                           yFract="0.51382227"
                           z3="8.54671"
                           zFract="0.38464041"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08853"
                           xFract="0.24745616"
                           y3="4.20722"
                           yFract="0.49848578"
                           z3="4.27804"
                           zFract="0.19253105"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06658"
                           xFract="0.24485545"
                           y3="6.34589"
                           yFract="0.7518827"
                           z3="6.37834"
                           zFract="0.28705401"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09842"
                           xFract="0.24862796"
                           y3="0.00894"
                           yFract="0.00105924"
                           z3="4.23259"
                           zFract="0.1904856"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26448"
                           xFract="0.50527014"
                           y3="0.01624"
                           yFract="0.00192417"
                           z3="6.32851"
                           zFract="0.28481143"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35988"
                           xFract="0.75354028"
                           y3="2.13077"
                           yFract="0.2524609"
                           z3="6.37639"
                           zFract="0.28696625"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.66134"
                           xFract="0.78925829"
                           y3="4.09077"
                           yFract="0.48468839"
                           z3="8.65068"
                           zFract="0.38931953"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18136"
                           xFract="0.4954218"
                           y3="2.26789"
                           yFract="0.26870735"
                           z3="8.52126"
                           zFract="0.38349505"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42814"
                           xFract="0.99859479"
                           y3="6.31211"
                           yFract="0.74788033"
                           z3="4.25681"
                           zFract="0.19157561"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39292"
                           xFract="0.9944218"
                           y3="4.17399"
                           yFract="0.49454858"
                           z3="6.46092"
                           zFract="0.29077048"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21135"
                           xFract="0.49897512"
                           y3="2.11538"
                           yFract="0.25063744"
                           z3="4.23152"
                           zFract="0.19043744"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03123"
                           xFract="0.24066706"
                           y3="2.08761"
                           yFract="0.24734716"
                           z3="6.43628"
                           zFract="0.28966157"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36421"
                           xFract="0.75405332"
                           y3="4.21002"
                           yFract="0.49881754"
                           z3="4.24773"
                           zFract="0.19116697"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.5315"
                           xFract="0.53690758"
                           y3="6.29273"
                           yFract="0.74558412"
                           z3="8.52284"
                           zFract="0.38356616"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27531"
                           xFract="0.50655332"
                           y3="4.19338"
                           yFract="0.49684597"
                           z3="6.45129"
                           zFract="0.29033708"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.24693"
                           xFract="0.26622393"
                           y3="-0.06897"
                           yFract="-0.0081718"
                           z3="8.46407"
                           zFract="0.38092124"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29839"
                           xFract="0.74625474"
                           y3="0.47872"
                           yFract="0.05672038"
                           z3="8.48275"
                           zFract="0.38176193"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26969"
                           xFract="0.97982109"
                           y3="2.0389"
                           yFract="0.24157583"
                           z3="6.22239"
                           zFract="0.28003555"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17075"
                           xFract="0.25719787"
                           y3="8.43174"
                           yFract="0.99902133"
                           z3="6.30846"
                           zFract="0.28390909"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00474"
                           xFract="0.00056161"
                           y3="0.00645"
                           yFract="0.00076422"
                           z3="4.26058"
                           zFract="0.19174527"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32735"
                           xFract="0.98665284"
                           y3="0.17307"
                           yFract="0.02050592"
                           z3="8.38821"
                           zFract="0.3775072"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11918"
                           xFract="0.25108768"
                           y3="2.11657"
                           yFract="0.25077844"
                           z3="4.3010"
                           zFract="0.19356436"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08596"
                           xFract="0.24715166"
                           y3="1.91486"
                           yFract="0.22687915"
                           z3="8.52709"
                           zFract="0.38375743"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42008"
                           xFract="0.52370616"
                           y3="2.1054"
                           yFract="0.24945498"
                           z3="6.33667"
                           zFract="0.28517867"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33063"
                           xFract="0.75007464"
                           y3="8.33904"
                           yFract="0.98803791"
                           z3="6.30613"
                           zFract="0.28380423"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21236"
                           xFract="0.49909479"
                           y3="8.31369"
                           yFract="0.98503436"
                           z3="4.20501"
                           zFract="0.18924437"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40138"
                           xFract="0.52149052"
                           y3="-0.12617"
                           yFract="-0.01494905"
                           z3="8.48863"
                           zFract="0.38202655"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29527"
                           xFract="0.74588507"
                           y3="2.07397"
                           yFract="0.24573104"
                           z3="4.04472"
                           zFract="0.1820306"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.8588"
                           xFract="0.81265403"
                           y3="2.27567"
                           yFract="0.26962915"
                           z3="9.19677"
                           zFract="0.41389604"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40685"
                           xFract="0.99607227"
                           y3="6.51142"
                           yFract="0.77149526"
                           z3="6.36705"
                           zFract="0.2865459"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93728"
                           xFract="0.22953555"
                           y3="4.24236"
                           yFract="0.50264929"
                           z3="6.47554"
                           zFract="0.29142844"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02705"
                           xFract="0.00320498"
                           y3="4.1983"
                           yFract="0.49742891"
                           z3="4.12485"
                           zFract="0.18563681"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.61511"
                           xFract="0.07288033"
                           y3="3.76709"
                           yFract="0.44633768"
                           z3="9.64876"
                           zFract="0.43423762"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21015"
                           xFract="0.26186611"
                           y3="6.32049"
                           yFract="0.74887322"
                           z3="4.28978"
                           zFract="0.19305941"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93265"
                           xFract="0.22898697"
                           y3="6.4125"
                           yFract="0.75977488"
                           z3="8.47332"
                           zFract="0.38133753"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2345"
                           xFract="0.50171801"
                           y3="6.33498"
                           yFract="0.75059005"
                           z3="6.25229"
                           zFract="0.28138119"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42308"
                           xFract="0.76102844"
                           y3="4.30033"
                           yFract="0.50951777"
                           z3="6.30126"
                           zFract="0.28358506"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18671"
                           xFract="0.49605569"
                           y3="4.35814"
                           yFract="0.5163673"
                           z3="4.2949"
                           zFract="0.19328983"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11163"
                           xFract="0.48715995"
                           y3="4.32827"
                           yFract="0.5128282"
                           z3="8.52416"
                           zFract="0.38362556"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18492"
                           xFract="0.73281043"
                           y3="6.36374"
                           yFract="0.75399763"
                           z3="4.21419"
                           zFract="0.18965752"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54558"
                           xFract="0.77554265"
                           y3="6.0366"
                           yFract="0.71523697"
                           z3="8.43726"
                           zFract="0.37971467"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.200">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26289"
                           xFract="0.0311481"
                           y3="3.9149"
                           yFract="0.46385071"
                           z3="10.53965"
                           zFract="0.47433168"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04908"
                           xFract="-0.00581517"
                           y3="6.49778"
                           yFract="0.76987915"
                           z3="8.44301"
                           zFract="0.37997345"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33479"
                           xFract="0.75056754"
                           y3="0.0123"
                           yFract="0.00145735"
                           z3="4.24633"
                           zFract="0.19110396"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.25106"
                           xFract="0.02974645"
                           y3="1.99122"
                           yFract="0.23592654"
                           z3="9.00352"
                           zFract="0.40519892"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35933"
                           xFract="0.75347512"
                           y3="6.31643"
                           yFract="0.74839218"
                           z3="6.35749"
                           zFract="0.28611566"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20359"
                           xFract="0.49805569"
                           y3="6.33613"
                           yFract="0.7507263"
                           z3="4.22584"
                           zFract="0.19018182"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41354"
                           xFract="0.99686493"
                           y3="0.08072"
                           yFract="0.00956398"
                           z3="6.3668"
                           zFract="0.28653465"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41794"
                           xFract="0.99738626"
                           y3="2.1114"
                           yFract="0.25016588"
                           z3="4.20014"
                           zFract="0.1890252"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13444"
                           xFract="0.25289573"
                           y3="4.33723"
                           yFract="0.51388981"
                           z3="8.54686"
                           zFract="0.38464716"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08857"
                           xFract="0.2474609"
                           y3="4.20721"
                           yFract="0.4984846"
                           z3="4.27803"
                           zFract="0.1925306"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06658"
                           xFract="0.24485545"
                           y3="6.34599"
                           yFract="0.75189455"
                           z3="6.37828"
                           zFract="0.28705131"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09844"
                           xFract="0.24863033"
                           y3="0.00902"
                           yFract="0.00106872"
                           z3="4.23252"
                           zFract="0.19048245"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26452"
                           xFract="0.50527488"
                           y3="0.01616"
                           yFract="0.00191469"
                           z3="6.3286"
                           zFract="0.28481548"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35997"
                           xFract="0.75355095"
                           y3="2.13092"
                           yFract="0.25247867"
                           z3="6.37661"
                           zFract="0.28697615"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.66225"
                           xFract="0.78936611"
                           y3="4.09078"
                           yFract="0.48468957"
                           z3="8.65071"
                           zFract="0.38932088"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1814"
                           xFract="0.49542654"
                           y3="2.26862"
                           yFract="0.26879384"
                           z3="8.52132"
                           zFract="0.38349775"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42811"
                           xFract="0.99859123"
                           y3="6.31215"
                           yFract="0.74788507"
                           z3="4.25677"
                           zFract="0.19157381"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3929"
                           xFract="0.99441943"
                           y3="4.17398"
                           yFract="0.49454739"
                           z3="6.46102"
                           zFract="0.29077498"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21143"
                           xFract="0.4989846"
                           y3="2.11545"
                           yFract="0.25064573"
                           z3="4.23168"
                           zFract="0.19044464"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03126"
                           xFract="0.24067062"
                           y3="2.08756"
                           yFract="0.24734123"
                           z3="6.4364"
                           zFract="0.28966697"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36425"
                           xFract="0.75405806"
                           y3="4.21007"
                           yFract="0.49882346"
                           z3="4.24772"
                           zFract="0.19116652"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.53197"
                           xFract="0.53696327"
                           y3="6.29254"
                           yFract="0.74556161"
                           z3="8.52322"
                           zFract="0.38358326"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27532"
                           xFract="0.5065545"
                           y3="4.1936"
                           yFract="0.49687204"
                           z3="6.45128"
                           zFract="0.29033663"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.24758"
                           xFract="0.26630095"
                           y3="-0.06929"
                           yFract="-0.00820972"
                           z3="8.46416"
                           zFract="0.38092529"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29832"
                           xFract="0.74624645"
                           y3="0.47898"
                           yFract="0.05675118"
                           z3="8.48298"
                           zFract="0.38177228"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.26982"
                           xFract="0.97983649"
                           y3="2.03901"
                           yFract="0.24158886"
                           z3="6.22235"
                           zFract="0.28003375"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17095"
                           xFract="0.25722156"
                           y3="8.43168"
                           yFract="0.99901422"
                           z3="6.3085"
                           zFract="0.28391089"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00464"
                           xFract="0.00054976"
                           y3="0.00662"
                           yFract="0.00078436"
                           z3="4.26064"
                           zFract="0.19174797"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32719"
                           xFract="0.98663389"
                           y3="0.17312"
                           yFract="0.02051185"
                           z3="8.38807"
                           zFract="0.3775009"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11922"
                           xFract="0.25109242"
                           y3="2.11657"
                           yFract="0.25077844"
                           z3="4.30115"
                           zFract="0.19357111"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0863"
                           xFract="0.24719194"
                           y3="1.91427"
                           yFract="0.22680924"
                           z3="8.52717"
                           zFract="0.38376103"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42013"
                           xFract="0.52371209"
                           y3="2.10534"
                           yFract="0.24944787"
                           z3="6.33707"
                           zFract="0.28519667"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33056"
                           xFract="0.75006635"
                           y3="8.33908"
                           yFract="0.98804265"
                           z3="6.30591"
                           zFract="0.28379433"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21235"
                           xFract="0.4990936"
                           y3="8.31385"
                           yFract="0.98505332"
                           z3="4.20503"
                           zFract="0.18924527"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40165"
                           xFract="0.52152251"
                           y3="-0.12683"
                           yFract="-0.01502725"
                           z3="8.48873"
                           zFract="0.38203105"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29518"
                           xFract="0.74587441"
                           y3="2.07399"
                           yFract="0.24573341"
                           z3="4.04482"
                           zFract="0.1820351"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.85968"
                           xFract="0.81275829"
                           y3="2.27553"
                           yFract="0.26961256"
                           z3="9.19656"
                           zFract="0.41388659"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40671"
                           xFract="0.99605569"
                           y3="6.51148"
                           yFract="0.77150237"
                           z3="6.36685"
                           zFract="0.2865369"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93726"
                           xFract="0.22953318"
                           y3="4.24225"
                           yFract="0.50263626"
                           z3="6.47564"
                           zFract="0.29143294"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02704"
                           xFract="0.00320379"
                           y3="4.19838"
                           yFract="0.49743839"
                           z3="4.12493"
                           zFract="0.18564041"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.61617"
                           xFract="0.07300592"
                           y3="3.76615"
                           yFract="0.4462263"
                           z3="9.64968"
                           zFract="0.43427903"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21011"
                           xFract="0.26186137"
                           y3="6.32052"
                           yFract="0.74887678"
                           z3="4.2897"
                           zFract="0.19305581"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93237"
                           xFract="0.22895379"
                           y3="6.41272"
                           yFract="0.75980095"
                           z3="8.47324"
                           zFract="0.38133393"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2346"
                           xFract="0.50172986"
                           y3="6.33498"
                           yFract="0.75059005"
                           z3="6.25192"
                           zFract="0.28136454"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42304"
                           xFract="0.7610237"
                           y3="4.30041"
                           yFract="0.50952725"
                           z3="6.30113"
                           zFract="0.28357921"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18669"
                           xFract="0.49605332"
                           y3="4.3582"
                           yFract="0.51637441"
                           z3="4.29488"
                           zFract="0.19328893"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11138"
                           xFract="0.48713033"
                           y3="4.32892"
                           yFract="0.51290521"
                           z3="8.52425"
                           zFract="0.38362961"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18491"
                           xFract="0.73280924"
                           y3="6.36386"
                           yFract="0.75401185"
                           z3="4.21407"
                           zFract="0.18965212"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54584"
                           xFract="0.77557346"
                           y3="6.03651"
                           yFract="0.7152263"
                           z3="8.43728"
                           zFract="0.37971557"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.201">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26291"
                           xFract="0.03115047"
                           y3="3.91311"
                           yFract="0.46363863"
                           z3="10.54018"
                           zFract="0.47435554"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04891"
                           xFract="-0.00579502"
                           y3="6.49844"
                           yFract="0.76995735"
                           z3="8.44251"
                           zFract="0.37995095"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33493"
                           xFract="0.75058412"
                           y3="0.01246"
                           yFract="0.0014763"
                           z3="4.24619"
                           zFract="0.19109766"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.25033"
                           xFract="0.02965995"
                           y3="1.99048"
                           yFract="0.23583886"
                           z3="9.00424"
                           zFract="0.40523132"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35914"
                           xFract="0.75345261"
                           y3="6.31634"
                           yFract="0.74838152"
                           z3="6.35705"
                           zFract="0.28609586"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20399"
                           xFract="0.49810308"
                           y3="6.3352"
                           yFract="0.75061611"
                           z3="4.2258"
                           zFract="0.19018002"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41338"
                           xFract="0.99684597"
                           y3="0.08104"
                           yFract="0.0096019"
                           z3="6.36636"
                           zFract="0.28651485"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41806"
                           xFract="0.99740047"
                           y3="2.11147"
                           yFract="0.25017417"
                           z3="4.20036"
                           zFract="0.1890351"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13366"
                           xFract="0.25280332"
                           y3="4.33896"
                           yFract="0.51409479"
                           z3="8.54729"
                           zFract="0.38466652"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08869"
                           xFract="0.24747512"
                           y3="4.20715"
                           yFract="0.49847749"
                           z3="4.27798"
                           zFract="0.19252835"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06659"
                           xFract="0.24485664"
                           y3="6.34632"
                           yFract="0.75193365"
                           z3="6.37811"
                           zFract="0.28704365"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0985"
                           xFract="0.24863744"
                           y3="0.00926"
                           yFract="0.00109716"
                           z3="4.23234"
                           zFract="0.19047435"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26464"
                           xFract="0.5052891"
                           y3="0.01592"
                           yFract="0.00188626"
                           z3="6.32887"
                           zFract="0.28482763"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36025"
                           xFract="0.75358412"
                           y3="2.13135"
                           yFract="0.25252962"
                           z3="6.37729"
                           zFract="0.28700675"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.66499"
                           xFract="0.78969076"
                           y3="4.09084"
                           yFract="0.48469668"
                           z3="8.65081"
                           zFract="0.38932538"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18152"
                           xFract="0.49544076"
                           y3="2.27079"
                           yFract="0.26905095"
                           z3="8.52148"
                           zFract="0.38350495"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4280"
                           xFract="0.9985782"
                           y3="6.31228"
                           yFract="0.74790047"
                           z3="4.25664"
                           zFract="0.19156796"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39284"
                           xFract="0.99441232"
                           y3="4.17397"
                           yFract="0.49454621"
                           z3="6.4613"
                           zFract="0.29078758"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21166"
                           xFract="0.49901185"
                           y3="2.11566"
                           yFract="0.25067062"
                           z3="4.23218"
                           zFract="0.19046715"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03132"
                           xFract="0.24067773"
                           y3="2.08743"
                           yFract="0.24732583"
                           z3="6.43674"
                           zFract="0.28968227"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36436"
                           xFract="0.75407109"
                           y3="4.21023"
                           yFract="0.49884242"
                           z3="4.24768"
                           zFract="0.19116472"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.53338"
                           xFract="0.53713033"
                           y3="6.29196"
                           yFract="0.74549289"
                           z3="8.52436"
                           zFract="0.38363456"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27535"
                           xFract="0.50655806"
                           y3="4.19426"
                           yFract="0.49695024"
                           z3="6.45123"
                           zFract="0.29033438"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.24952"
                           xFract="0.26653081"
                           y3="-0.07023"
                           yFract="-0.00832109"
                           z3="8.46442"
                           zFract="0.38093699"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29809"
                           xFract="0.74621919"
                           y3="0.47976"
                           yFract="0.0568436"
                           z3="8.48367"
                           zFract="0.38180333"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27019"
                           xFract="0.97988033"
                           y3="2.03933"
                           yFract="0.24162678"
                           z3="6.22223"
                           zFract="0.28002835"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17156"
                           xFract="0.25729384"
                           y3="8.43151"
                           yFract="0.99899408"
                           z3="6.30859"
                           zFract="0.28391494"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00433"
                           xFract="0.00051303"
                           y3="0.00711"
                           yFract="0.00084242"
                           z3="4.26082"
                           zFract="0.19175608"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32671"
                           xFract="0.98657701"
                           y3="0.17327"
                           yFract="0.02052962"
                           z3="8.38765"
                           zFract="0.377482"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11935"
                           xFract="0.25110782"
                           y3="2.11657"
                           yFract="0.25077844"
                           z3="4.30158"
                           zFract="0.19359046"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08734"
                           xFract="0.24731517"
                           y3="1.91253"
                           yFract="0.22660308"
                           z3="8.52743"
                           zFract="0.38377273"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42028"
                           xFract="0.52372986"
                           y3="2.10514"
                           yFract="0.24942417"
                           z3="6.33826"
                           zFract="0.28525023"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33035"
                           xFract="0.75004147"
                           y3="8.33921"
                           yFract="0.98805806"
                           z3="6.30527"
                           zFract="0.28376553"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21232"
                           xFract="0.49909005"
                           y3="8.31434"
                           yFract="0.98511137"
                           z3="4.20511"
                           zFract="0.18924887"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40246"
                           xFract="0.52161848"
                           y3="-0.12882"
                           yFract="-0.01526303"
                           z3="8.48902"
                           zFract="0.3820441"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2949"
                           xFract="0.74584123"
                           y3="2.07404"
                           yFract="0.24573934"
                           z3="4.04512"
                           zFract="0.1820486"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.86231"
                           xFract="0.81306991"
                           y3="2.27512"
                           yFract="0.26956398"
                           z3="9.19594"
                           zFract="0.41385869"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40627"
                           xFract="0.99600355"
                           y3="6.51165"
                           yFract="0.77152251"
                           z3="6.36626"
                           zFract="0.28651035"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93722"
                           xFract="0.22952844"
                           y3="4.24189"
                           yFract="0.5025936"
                           z3="6.47594"
                           zFract="0.29144644"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02703"
                           xFract="0.00320261"
                           y3="4.19864"
                           yFract="0.49746919"
                           z3="4.12517"
                           zFract="0.18565122"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.61934"
                           xFract="0.07338152"
                           y3="3.76333"
                           yFract="0.44589218"
                           z3="9.65245"
                           zFract="0.43440369"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20999"
                           xFract="0.26184716"
                           y3="6.32059"
                           yFract="0.74888507"
                           z3="4.28944"
                           zFract="0.1930441"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.93153"
                           xFract="0.22885427"
                           y3="6.41335"
                           yFract="0.75987559"
                           z3="8.47299"
                           zFract="0.38132268"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23489"
                           xFract="0.50176422"
                           y3="6.33497"
                           yFract="0.75058886"
                           z3="6.25082"
                           zFract="0.28131503"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4229"
                           xFract="0.76100711"
                           y3="4.30066"
                           yFract="0.50955687"
                           z3="6.30075"
                           zFract="0.28356211"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18666"
                           xFract="0.49604976"
                           y3="4.35839"
                           yFract="0.51639692"
                           z3="4.29483"
                           zFract="0.19328668"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.11065"
                           xFract="0.48704384"
                           y3="4.33088"
                           yFract="0.51313744"
                           z3="8.52451"
                           zFract="0.38364131"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18486"
                           xFract="0.73280332"
                           y3="6.36421"
                           yFract="0.75405332"
                           z3="4.21371"
                           zFract="0.18963591"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54663"
                           xFract="0.77566706"
                           y3="6.03622"
                           yFract="0.71519194"
                           z3="8.43736"
                           zFract="0.37971917"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.202">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26295"
                           xFract="0.03115521"
                           y3="3.90952"
                           yFract="0.46321327"
                           z3="10.54125"
                           zFract="0.47440369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04857"
                           xFract="-0.00575474"
                           y3="6.49977"
                           yFract="0.77011493"
                           z3="8.44151"
                           zFract="0.37990594"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33522"
                           xFract="0.75061848"
                           y3="0.01278"
                           yFract="0.00151422"
                           z3="4.24592"
                           zFract="0.19108551"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24886"
                           xFract="0.02948578"
                           y3="1.98901"
                           yFract="0.23566469"
                           z3="9.00567"
                           zFract="0.40529568"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35875"
                           xFract="0.7534064"
                           y3="6.31615"
                           yFract="0.748359"
                           z3="6.35617"
                           zFract="0.28605626"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20481"
                           xFract="0.49820024"
                           y3="6.33334"
                           yFract="0.75039573"
                           z3="4.22571"
                           zFract="0.19017597"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41305"
                           xFract="0.99680687"
                           y3="0.08168"
                           yFract="0.00967773"
                           z3="6.36546"
                           zFract="0.28647435"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41828"
                           xFract="0.99742654"
                           y3="2.11161"
                           yFract="0.25019076"
                           z3="4.20079"
                           zFract="0.18905446"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13212"
                           xFract="0.25262085"
                           y3="4.34241"
                           yFract="0.51450355"
                           z3="8.54815"
                           zFract="0.38470522"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08894"
                           xFract="0.24750474"
                           y3="4.20703"
                           yFract="0.49846327"
                           z3="4.2779"
                           zFract="0.19252475"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0666"
                           xFract="0.24485782"
                           y3="6.34697"
                           yFract="0.75201066"
                           z3="6.37777"
                           zFract="0.28702835"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09862"
                           xFract="0.24865166"
                           y3="0.00974"
                           yFract="0.00115403"
                           z3="4.23196"
                           zFract="0.19045725"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26487"
                           xFract="0.50531635"
                           y3="0.01544"
                           yFract="0.00182938"
                           z3="6.3294"
                           zFract="0.28485149"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3608"
                           xFract="0.75364929"
                           y3="2.13223"
                           yFract="0.25263389"
                           z3="6.37863"
                           zFract="0.28706706"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.67046"
                           xFract="0.79033886"
                           y3="4.09094"
                           yFract="0.48470853"
                           z3="8.65101"
                           zFract="0.38933438"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18175"
                           xFract="0.49546801"
                           y3="2.27513"
                           yFract="0.26956517"
                           z3="8.52181"
                           zFract="0.3835198"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42779"
                           xFract="0.99855332"
                           y3="6.31254"
                           yFract="0.74793128"
                           z3="4.25637"
                           zFract="0.19155581"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39272"
                           xFract="0.9943981"
                           y3="4.17393"
                           yFract="0.49454147"
                           z3="6.46187"
                           zFract="0.29081323"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21212"
                           xFract="0.49906635"
                           y3="2.11608"
                           yFract="0.25072038"
                           z3="4.23317"
                           zFract="0.1905117"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03145"
                           xFract="0.24069313"
                           y3="2.08716"
                           yFract="0.24729384"
                           z3="6.43743"
                           zFract="0.28971332"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36459"
                           xFract="0.75409834"
                           y3="4.21055"
                           yFract="0.49888033"
                           z3="4.24761"
                           zFract="0.19116157"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.5362"
                           xFract="0.53746445"
                           y3="6.29081"
                           yFract="0.74535664"
                           z3="8.52664"
                           zFract="0.38373717"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27541"
                           xFract="0.50656517"
                           y3="4.19558"
                           yFract="0.49710664"
                           z3="6.45112"
                           zFract="0.29032943"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.2534"
                           xFract="0.26699052"
                           y3="-0.07211"
                           yFract="-0.00854384"
                           z3="8.46494"
                           zFract="0.3809604"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29763"
                           xFract="0.74616469"
                           y3="0.48132"
                           yFract="0.05702844"
                           z3="8.48506"
                           zFract="0.38186589"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27093"
                           xFract="0.97996801"
                           y3="2.03998"
                           yFract="0.24170379"
                           z3="6.22198"
                           zFract="0.2800171"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17278"
                           xFract="0.25743839"
                           y3="8.43117"
                           yFract="0.99895379"
                           z3="6.30877"
                           zFract="0.28392304"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00371"
                           xFract="0.00043957"
                           y3="0.0081"
                           yFract="0.00095972"
                           z3="4.26117"
                           zFract="0.19177183"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32575"
                           xFract="0.98646327"
                           y3="0.17358"
                           yFract="0.02056635"
                           z3="8.3868"
                           zFract="0.37744374"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1196"
                           xFract="0.25113744"
                           y3="2.11655"
                           yFract="0.25077607"
                           z3="4.30246"
                           zFract="0.19363006"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0894"
                           xFract="0.24755924"
                           y3="1.90903"
                           yFract="0.22618839"
                           z3="8.52795"
                           zFract="0.38379613"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4206"
                           xFract="0.52376777"
                           y3="2.10475"
                           yFract="0.24937796"
                           z3="6.34063"
                           zFract="0.28535689"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32994"
                           xFract="0.74999289"
                           y3="8.33946"
                           yFract="0.98808768"
                           z3="6.30398"
                           zFract="0.28370747"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21226"
                           xFract="0.49908294"
                           y3="8.31532"
                           yFract="0.98522749"
                           z3="4.20526"
                           zFract="0.18925563"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40409"
                           xFract="0.52181161"
                           y3="-0.13281"
                           yFract="-0.01573578"
                           z3="8.4896"
                           zFract="0.38207021"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29434"
                           xFract="0.74577488"
                           y3="2.07413"
                           yFract="0.24575"
                           z3="4.04571"
                           zFract="0.18207516"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.86759"
                           xFract="0.8136955"
                           y3="2.27428"
                           yFract="0.26946445"
                           z3="9.1947"
                           zFract="0.41380288"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40541"
                           xFract="0.99590166"
                           y3="6.5120"
                           yFract="0.77156398"
                           z3="6.36507"
                           zFract="0.2864568"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93713"
                           xFract="0.22951777"
                           y3="4.24119"
                           yFract="0.50251066"
                           z3="6.47655"
                           zFract="0.2914739"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02701"
                           xFract="0.00320024"
                           y3="4.19915"
                           yFract="0.49752962"
                           z3="4.12566"
                           zFract="0.18567327"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.62568"
                           xFract="0.0741327"
                           y3="3.75769"
                           yFract="0.44522393"
                           z3="9.65799"
                           zFract="0.43465302"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20975"
                           xFract="0.26181872"
                           y3="6.32073"
                           yFract="0.74890166"
                           z3="4.28892"
                           zFract="0.1930207"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92985"
                           xFract="0.22865521"
                           y3="6.41462"
                           yFract="0.76002607"
                           z3="8.47249"
                           zFract="0.38130018"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23546"
                           xFract="0.50183175"
                           y3="6.33496"
                           yFract="0.75058768"
                           z3="6.24862"
                           zFract="0.28121602"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42263"
                           xFract="0.76097512"
                           y3="4.30116"
                           yFract="0.50961611"
                           z3="6.29999"
                           zFract="0.2835279"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18659"
                           xFract="0.49604147"
                           y3="4.35876"
                           yFract="0.51644076"
                           z3="4.29473"
                           zFract="0.19328218"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10918"
                           xFract="0.48686967"
                           y3="4.33478"
                           yFract="0.51359953"
                           z3="8.52503"
                           zFract="0.38366472"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18478"
                           xFract="0.73279384"
                           y3="6.3649"
                           yFract="0.75413507"
                           z3="4.21298"
                           zFract="0.18960306"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5482"
                           xFract="0.77585308"
                           y3="6.03566"
                           yFract="0.71512559"
                           z3="8.43751"
                           zFract="0.37972592"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.203">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26304"
                           xFract="0.03116588"
                           y3="3.90234"
                           yFract="0.46236256"
                           z3="10.54339"
                           zFract="0.4745"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04789"
                           xFract="-0.00567417"
                           y3="6.50243"
                           yFract="0.77043009"
                           z3="8.43952"
                           zFract="0.37981638"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33579"
                           xFract="0.75068602"
                           y3="0.01341"
                           yFract="0.00158886"
                           z3="4.24537"
                           zFract="0.19106076"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24593"
                           xFract="0.02913863"
                           y3="1.98606"
                           yFract="0.23531517"
                           z3="9.00854"
                           zFract="0.40542484"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35797"
                           xFract="0.75331398"
                           y3="6.31579"
                           yFract="0.74831635"
                           z3="6.35441"
                           zFract="0.28597705"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20644"
                           xFract="0.49839336"
                           y3="6.32961"
                           yFract="0.74995379"
                           z3="4.22554"
                           zFract="0.19016832"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4124"
                           xFract="0.99672986"
                           y3="0.08296"
                           yFract="0.00982938"
                           z3="6.36367"
                           zFract="0.28639379"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41873"
                           xFract="0.99747986"
                           y3="2.11189"
                           yFract="0.25022393"
                           z3="4.20166"
                           zFract="0.18909361"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12903"
                           xFract="0.25225474"
                           y3="4.3493"
                           yFract="0.51531991"
                           z3="8.54988"
                           zFract="0.38478308"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08944"
                           xFract="0.24756398"
                           y3="4.2068"
                           yFract="0.49843602"
                           z3="4.27772"
                           zFract="0.19251665"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06662"
                           xFract="0.24486019"
                           y3="6.34826"
                           yFract="0.75216351"
                           z3="6.37709"
                           zFract="0.28699775"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09885"
                           xFract="0.24867891"
                           y3="0.01069"
                           yFract="0.00126659"
                           z3="4.2312"
                           zFract="0.19042304"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26535"
                           xFract="0.50537322"
                           y3="0.01448"
                           yFract="0.00171564"
                           z3="6.33047"
                           zFract="0.28489964"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36191"
                           xFract="0.75378081"
                           y3="2.13397"
                           yFract="0.25284005"
                           z3="6.38132"
                           zFract="0.28718812"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.68141"
                           xFract="0.79163626"
                           y3="4.09116"
                           yFract="0.4847346"
                           z3="8.65141"
                           zFract="0.38935239"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18222"
                           xFract="0.4955237"
                           y3="2.28382"
                           yFract="0.27059479"
                           z3="8.52246"
                           zFract="0.38354905"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42737"
                           xFract="0.99850355"
                           y3="6.31307"
                           yFract="0.74799408"
                           z3="4.25585"
                           zFract="0.1915324"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39248"
                           xFract="0.99436967"
                           y3="4.17385"
                           yFract="0.49453199"
                           z3="6.4630"
                           zFract="0.29086409"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21304"
                           xFract="0.49917536"
                           y3="2.11692"
                           yFract="0.25081991"
                           z3="4.23515"
                           zFract="0.19060081"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03172"
                           xFract="0.24072512"
                           y3="2.08662"
                           yFract="0.24722986"
                           z3="6.43881"
                           zFract="0.28977543"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36503"
                           xFract="0.75415047"
                           y3="4.21119"
                           yFract="0.49895616"
                           z3="4.24747"
                           zFract="0.19115527"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.54184"
                           xFract="0.5381327"
                           y3="6.2885"
                           yFract="0.74508294"
                           z3="8.53122"
                           zFract="0.38394329"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27554"
                           xFract="0.50658057"
                           y3="4.19822"
                           yFract="0.49741943"
                           z3="6.45092"
                           zFract="0.29032043"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.26116"
                           xFract="0.26790995"
                           y3="-0.07587"
                           yFract="-0.00898934"
                           z3="8.46598"
                           zFract="0.3810072"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29673"
                           xFract="0.74605806"
                           y3="0.48443"
                           yFract="0.05739692"
                           z3="8.48783"
                           zFract="0.38199055"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27242"
                           xFract="0.98014455"
                           y3="2.04128"
                           yFract="0.24185782"
                           z3="6.22148"
                           zFract="0.2799946"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17521"
                           xFract="0.2577263"
                           y3="8.43049"
                           yFract="0.99887322"
                           z3="6.30914"
                           zFract="0.28393969"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00248"
                           xFract="0.00029384"
                           y3="0.01008"
                           yFract="0.00119431"
                           z3="4.26187"
                           zFract="0.19180333"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32384"
                           xFract="0.98623697"
                           y3="0.17419"
                           yFract="0.02063863"
                           z3="8.38511"
                           zFract="0.37736769"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12011"
                           xFract="0.25119787"
                           y3="2.11653"
                           yFract="0.2507737"
                           z3="4.3042"
                           zFract="0.19370837"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09354"
                           xFract="0.24804976"
                           y3="1.90204"
                           yFract="0.22536019"
                           z3="8.5290"
                           zFract="0.38384338"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42122"
                           xFract="0.52384123"
                           y3="2.10397"
                           yFract="0.24928555"
                           z3="6.34539"
                           zFract="0.28557111"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3291"
                           xFract="0.74989336"
                           y3="8.33998"
                           yFract="0.98814929"
                           z3="6.3014"
                           zFract="0.28359136"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21213"
                           xFract="0.49906754"
                           y3="8.31728"
                           yFract="0.98545972"
                           z3="4.20557"
                           zFract="0.18926958"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40735"
                           xFract="0.52219787"
                           y3="-0.14079"
                           yFract="-0.01668128"
                           z3="8.49076"
                           zFract="0.38212241"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29322"
                           xFract="0.74564218"
                           y3="2.07432"
                           yFract="0.24577251"
                           z3="4.04688"
                           zFract="0.18212781"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.87814"
                           xFract="0.8149455"
                           y3="2.27261"
                           yFract="0.26926659"
                           z3="9.19221"
                           zFract="0.41369082"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40367"
                           xFract="0.9956955"
                           y3="6.5127"
                           yFract="0.77164692"
                           z3="6.36269"
                           zFract="0.28634968"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93695"
                           xFract="0.22949645"
                           y3="4.23977"
                           yFract="0.50234242"
                           z3="6.47777"
                           zFract="0.2915288"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02697"
                           xFract="0.0031955"
                           y3="4.20018"
                           yFract="0.49765166"
                           z3="4.12662"
                           zFract="0.18571647"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.63837"
                           xFract="0.07563626"
                           y3="3.74642"
                           yFract="0.44388863"
                           z3="9.66908"
                           zFract="0.43515212"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20928"
                           xFract="0.26176303"
                           y3="6.32101"
                           yFract="0.74893483"
                           z3="4.28789"
                           zFract="0.19297435"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92648"
                           xFract="0.22825592"
                           y3="6.41716"
                           yFract="0.76032701"
                           z3="8.47149"
                           zFract="0.38125518"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23661"
                           xFract="0.50196801"
                           y3="6.33494"
                           yFract="0.75058531"
                           z3="6.24423"
                           zFract="0.28101845"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42208"
                           xFract="0.76090995"
                           y3="4.30215"
                           yFract="0.50973341"
                           z3="6.29846"
                           zFract="0.28345905"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18645"
                           xFract="0.49602488"
                           y3="4.35952"
                           yFract="0.51653081"
                           z3="4.29452"
                           zFract="0.19327273"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10625"
                           xFract="0.48652251"
                           y3="4.3426"
                           yFract="0.51452607"
                           z3="8.52606"
                           zFract="0.38371107"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18462"
                           xFract="0.73277488"
                           y3="6.3663"
                           yFract="0.75430095"
                           z3="4.21152"
                           zFract="0.18953735"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.55135"
                           xFract="0.7762263"
                           y3="6.03453"
                           yFract="0.71499171"
                           z3="8.43782"
                           zFract="0.37973987"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.204">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26299"
                           xFract="0.03115995"
                           y3="3.90635"
                           yFract="0.46283768"
                           z3="10.5422"
                           zFract="0.47444644"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04827"
                           xFract="-0.00571919"
                           y3="6.50094"
                           yFract="0.77025355"
                           z3="8.44063"
                           zFract="0.37986634"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33547"
                           xFract="0.7506481"
                           y3="0.01305"
                           yFract="0.00154621"
                           z3="4.24568"
                           zFract="0.19107471"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24757"
                           xFract="0.02933294"
                           y3="1.98771"
                           yFract="0.23551066"
                           z3="9.00693"
                           zFract="0.40535239"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35841"
                           xFract="0.75336611"
                           y3="6.31599"
                           yFract="0.74834005"
                           z3="6.35539"
                           zFract="0.28602115"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20553"
                           xFract="0.49828555"
                           y3="6.3317"
                           yFract="0.75020142"
                           z3="4.22564"
                           zFract="0.19017282"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41277"
                           xFract="0.9967737"
                           y3="0.08225"
                           yFract="0.00974526"
                           z3="6.36467"
                           zFract="0.28643879"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41848"
                           xFract="0.99745024"
                           y3="2.11173"
                           yFract="0.25020498"
                           z3="4.20117"
                           zFract="0.18907156"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13076"
                           xFract="0.25245972"
                           y3="4.34545"
                           yFract="0.51486374"
                           z3="8.54891"
                           zFract="0.38473942"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08916"
                           xFract="0.24753081"
                           y3="4.20693"
                           yFract="0.49845142"
                           z3="4.27782"
                           zFract="0.19252115"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06661"
                           xFract="0.244859"
                           y3="6.34754"
                           yFract="0.7520782"
                           z3="6.37747"
                           zFract="0.28701485"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09872"
                           xFract="0.24866351"
                           y3="0.01016"
                           yFract="0.00120379"
                           z3="4.23163"
                           zFract="0.19044239"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26508"
                           xFract="0.50534123"
                           y3="0.01501"
                           yFract="0.00177844"
                           z3="6.32987"
                           zFract="0.28487264"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36129"
                           xFract="0.75370735"
                           y3="2.1330"
                           yFract="0.25272512"
                           z3="6.37981"
                           zFract="0.28712016"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.67529"
                           xFract="0.79091114"
                           y3="4.09104"
                           yFract="0.48472038"
                           z3="8.65119"
                           zFract="0.38934248"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18196"
                           xFract="0.49549289"
                           y3="2.27896"
                           yFract="0.27001896"
                           z3="8.5221"
                           zFract="0.38353285"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4276"
                           xFract="0.99853081"
                           y3="6.31278"
                           yFract="0.74795972"
                           z3="4.25614"
                           zFract="0.19154545"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39261"
                           xFract="0.99438507"
                           y3="4.17389"
                           yFract="0.49453673"
                           z3="6.46236"
                           zFract="0.29083528"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21252"
                           xFract="0.49911374"
                           y3="2.11645"
                           yFract="0.25076422"
                           z3="4.23404"
                           zFract="0.19055086"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03157"
                           xFract="0.24070735"
                           y3="2.08692"
                           yFract="0.2472654"
                           z3="6.43804"
                           zFract="0.28974077"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36478"
                           xFract="0.75412085"
                           y3="4.21083"
                           yFract="0.49891351"
                           z3="4.24755"
                           zFract="0.19115887"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.53869"
                           xFract="0.53775948"
                           y3="6.28979"
                           yFract="0.74523578"
                           z3="8.52866"
                           zFract="0.38382808"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27547"
                           xFract="0.50657227"
                           y3="4.19675"
                           yFract="0.49724526"
                           z3="6.45103"
                           zFract="0.29032538"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.25682"
                           xFract="0.26739573"
                           y3="-0.07376"
                           yFract="-0.00873934"
                           z3="8.4654"
                           zFract="0.3809811"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29723"
                           xFract="0.7461173"
                           y3="0.48269"
                           yFract="0.05719076"
                           z3="8.48628"
                           zFract="0.38192079"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27159"
                           xFract="0.98004621"
                           y3="2.04055"
                           yFract="0.24177133"
                           z3="6.22176"
                           zFract="0.2800072"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17385"
                           xFract="0.25756517"
                           y3="8.43087"
                           yFract="0.99891825"
                           z3="6.30893"
                           zFract="0.28393024"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00317"
                           xFract="0.00037559"
                           y3="0.00897"
                           yFract="0.0010628"
                           z3="4.26147"
                           zFract="0.19178533"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32491"
                           xFract="0.98636374"
                           y3="0.17385"
                           yFract="0.02059834"
                           z3="8.38606"
                           zFract="0.37741044"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11983"
                           xFract="0.25116469"
                           y3="2.11654"
                           yFract="0.25077488"
                           z3="4.30322"
                           zFract="0.19366427"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09123"
                           xFract="0.24777607"
                           y3="1.90595"
                           yFract="0.22582346"
                           z3="8.52841"
                           zFract="0.38381683"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42087"
                           xFract="0.52379976"
                           y3="2.10441"
                           yFract="0.24933768"
                           z3="6.34273"
                           zFract="0.2854514"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32957"
                           xFract="0.74994905"
                           y3="8.33969"
                           yFract="0.98811493"
                           z3="6.30284"
                           zFract="0.28365617"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2122"
                           xFract="0.49907583"
                           y3="8.31618"
                           yFract="0.98532938"
                           z3="4.2054"
                           zFract="0.18926193"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40553"
                           xFract="0.52198223"
                           y3="-0.13633"
                           yFract="-0.01615284"
                           z3="8.49011"
                           zFract="0.38209316"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29384"
                           xFract="0.74571564"
                           y3="2.07422"
                           yFract="0.24576066"
                           z3="4.04623"
                           zFract="0.18209856"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.87224"
                           xFract="0.81424645"
                           y3="2.27355"
                           yFract="0.26937796"
                           z3="9.1936"
                           zFract="0.41375338"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40464"
                           xFract="0.99581043"
                           y3="6.51231"
                           yFract="0.77160071"
                           z3="6.36402"
                           zFract="0.28640954"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93705"
                           xFract="0.22950829"
                           y3="4.24056"
                           yFract="0.50243602"
                           z3="6.47709"
                           zFract="0.2914982"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02699"
                           xFract="0.00319787"
                           y3="4.19961"
                           yFract="0.49758412"
                           z3="4.12608"
                           zFract="0.18569217"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.63127"
                           xFract="0.07479502"
                           y3="3.75273"
                           yFract="0.44463626"
                           z3="9.66288"
                           zFract="0.43487309"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20955"
                           xFract="0.26179502"
                           y3="6.32085"
                           yFract="0.74891588"
                           z3="4.28847"
                           zFract="0.19300045"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92836"
                           xFract="0.22847867"
                           y3="6.41574"
                           yFract="0.76015877"
                           z3="8.47205"
                           zFract="0.38128038"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23597"
                           xFract="0.50189218"
                           y3="6.33495"
                           yFract="0.75058649"
                           z3="6.24669"
                           zFract="0.28112916"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42238"
                           xFract="0.7609455"
                           y3="4.3016"
                           yFract="0.50966825"
                           z3="6.29931"
                           zFract="0.2834973"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18653"
                           xFract="0.49603436"
                           y3="4.3591"
                           yFract="0.51648104"
                           z3="4.29464"
                           zFract="0.19327813"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10789"
                           xFract="0.48671682"
                           y3="4.33823"
                           yFract="0.51400829"
                           z3="8.52548"
                           zFract="0.38368497"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18471"
                           xFract="0.73278555"
                           y3="6.36552"
                           yFract="0.75420853"
                           z3="4.21234"
                           zFract="0.18957426"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.54959"
                           xFract="0.77601777"
                           y3="6.03516"
                           yFract="0.71506635"
                           z3="8.43765"
                           zFract="0.37973222"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.205">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26219"
                           xFract="0.03106517"
                           y3="3.90513"
                           yFract="0.46269313"
                           z3="10.54453"
                           zFract="0.47455131"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0483"
                           xFract="-0.00572275"
                           y3="6.50137"
                           yFract="0.7703045"
                           z3="8.44032"
                           zFract="0.37985239"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33567"
                           xFract="0.7506718"
                           y3="0.01315"
                           yFract="0.00155806"
                           z3="4.24559"
                           zFract="0.19107066"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24821"
                           xFract="0.02940877"
                           y3="1.98679"
                           yFract="0.23540166"
                           z3="9.00733"
                           zFract="0.40537039"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35842"
                           xFract="0.7533673"
                           y3="6.31608"
                           yFract="0.74835071"
                           z3="6.35514"
                           zFract="0.2860099"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20574"
                           xFract="0.49831043"
                           y3="6.33155"
                           yFract="0.75018365"
                           z3="4.22574"
                           zFract="0.19017732"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41269"
                           xFract="0.99676422"
                           y3="0.08232"
                           yFract="0.00975355"
                           z3="6.36426"
                           zFract="0.28642034"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41862"
                           xFract="0.99746682"
                           y3="2.11177"
                           yFract="0.25020972"
                           z3="4.2012"
                           zFract="0.18907291"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12993"
                           xFract="0.25236137"
                           y3="4.3470"
                           yFract="0.51504739"
                           z3="8.54948"
                           zFract="0.38476508"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08915"
                           xFract="0.24752962"
                           y3="4.20684"
                           yFract="0.49844076"
                           z3="4.27766"
                           zFract="0.19251395"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06662"
                           xFract="0.24486019"
                           y3="6.34802"
                           yFract="0.75213507"
                           z3="6.37731"
                           zFract="0.28700765"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09881"
                           xFract="0.24867417"
                           y3="0.0104"
                           yFract="0.00123223"
                           z3="4.23137"
                           zFract="0.19043069"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26535"
                           xFract="0.50537322"
                           y3="0.01471"
                           yFract="0.00174289"
                           z3="6.32995"
                           zFract="0.28487624"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36145"
                           xFract="0.7537263"
                           y3="2.13341"
                           yFract="0.2527737"
                           z3="6.38003"
                           zFract="0.28713006"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.6778"
                           xFract="0.79120853"
                           y3="4.09102"
                           yFract="0.48471801"
                           z3="8.65119"
                           zFract="0.38934248"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18184"
                           xFract="0.49547867"
                           y3="2.28087"
                           yFract="0.27024526"
                           z3="8.52222"
                           zFract="0.38353825"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42744"
                           xFract="0.99851185"
                           y3="6.31291"
                           yFract="0.74797512"
                           z3="4.25603"
                           zFract="0.1915405"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39266"
                           xFract="0.994391"
                           y3="4.17395"
                           yFract="0.49454384"
                           z3="6.46248"
                           zFract="0.29084068"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21275"
                           xFract="0.499141"
                           y3="2.11659"
                           yFract="0.25078081"
                           z3="4.23461"
                           zFract="0.19057651"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0316"
                           xFract="0.2407109"
                           y3="2.08674"
                           yFract="0.24724408"
                           z3="6.43839"
                           zFract="0.28975653"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36488"
                           xFract="0.7541327"
                           y3="4.21095"
                           yFract="0.49892773"
                           z3="4.24738"
                           zFract="0.19115122"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.54025"
                           xFract="0.53794431"
                           y3="6.28913"
                           yFract="0.74515758"
                           z3="8.52963"
                           zFract="0.38387174"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27546"
                           xFract="0.50657109"
                           y3="4.19725"
                           yFract="0.4973045"
                           z3="6.45112"
                           zFract="0.29032943"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.25852"
                           xFract="0.26759716"
                           y3="-0.07436"
                           yFract="-0.00881043"
                           z3="8.46576"
                           zFract="0.3809973"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29683"
                           xFract="0.74606991"
                           y3="0.48356"
                           yFract="0.05729384"
                           z3="8.48697"
                           zFract="0.38195185"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27181"
                           xFract="0.98007227"
                           y3="2.04056"
                           yFract="0.24177251"
                           z3="6.2221"
                           zFract="0.2800225"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17447"
                           xFract="0.25763863"
                           y3="8.43085"
                           yFract="0.99891588"
                           z3="6.30903"
                           zFract="0.28393474"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00289"
                           xFract="0.00034242"
                           y3="0.00938"
                           yFract="0.00111137"
                           z3="4.26154"
                           zFract="0.19178848"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32462"
                           xFract="0.98632938"
                           y3="0.1740"
                           yFract="0.02061611"
                           z3="8.38566"
                           zFract="0.37739244"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1200"
                           xFract="0.25118483"
                           y3="2.1167"
                           yFract="0.25079384"
                           z3="4.30368"
                           zFract="0.19368497"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0917"
                           xFract="0.24783175"
                           y3="1.90446"
                           yFract="0.22564692"
                           z3="8.52851"
                           zFract="0.38382133"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42094"
                           xFract="0.52380806"
                           y3="2.10437"
                           yFract="0.24933294"
                           z3="6.34388"
                           zFract="0.28550315"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32957"
                           xFract="0.74994905"
                           y3="8.33984"
                           yFract="0.9881327"
                           z3="6.30237"
                           zFract="0.28363501"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2123"
                           xFract="0.49908768"
                           y3="8.31643"
                           yFract="0.985359"
                           z3="4.20546"
                           zFract="0.18926463"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40614"
                           xFract="0.5220545"
                           y3="-0.13836"
                           yFract="-0.01639336"
                           z3="8.48998"
                           zFract="0.38208731"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29356"
                           xFract="0.74568246"
                           y3="2.07419"
                           yFract="0.24575711"
                           z3="4.04659"
                           zFract="0.18211476"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.87413"
                           xFract="0.81447038"
                           y3="2.27343"
                           yFract="0.26936374"
                           z3="9.19349"
                           zFract="0.41374842"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40449"
                           xFract="0.99579265"
                           y3="6.51246"
                           yFract="0.77161848"
                           z3="6.3632"
                           zFract="0.28637264"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93703"
                           xFract="0.22950592"
                           y3="4.24016"
                           yFract="0.50238863"
                           z3="6.47751"
                           zFract="0.2915171"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02693"
                           xFract="0.00319076"
                           y3="4.19965"
                           yFract="0.49758886"
                           z3="4.12628"
                           zFract="0.18570117"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.63508"
                           xFract="0.07524645"
                           y3="3.74976"
                           yFract="0.44428436"
                           z3="9.66373"
                           zFract="0.43491134"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20934"
                           xFract="0.26177014"
                           y3="6.32078"
                           yFract="0.74890758"
                           z3="4.28829"
                           zFract="0.19299235"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92744"
                           xFract="0.22836967"
                           y3="6.41639"
                           yFract="0.76023578"
                           z3="8.4720"
                           zFract="0.38127813"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23616"
                           xFract="0.50191469"
                           y3="6.33484"
                           yFract="0.75057346"
                           z3="6.24573"
                           zFract="0.28108596"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42231"
                           xFract="0.7609372"
                           y3="4.30196"
                           yFract="0.5097109"
                           z3="6.29894"
                           zFract="0.28348065"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1865"
                           xFract="0.49603081"
                           y3="4.35908"
                           yFract="0.51647867"
                           z3="4.29476"
                           zFract="0.19328353"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10719"
                           xFract="0.48663389"
                           y3="4.33989"
                           yFract="0.51420498"
                           z3="8.52577"
                           zFract="0.38369802"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18476"
                           xFract="0.73279147"
                           y3="6.36579"
                           yFract="0.75424052"
                           z3="4.2121"
                           zFract="0.18956346"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.55035"
                           xFract="0.77610782"
                           y3="6.03502"
                           yFract="0.71504976"
                           z3="8.43768"
                           zFract="0.37973357"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.206">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26107"
                           xFract="0.03093246"
                           y3="3.9034"
                           yFract="0.46248815"
                           z3="10.54783"
                           zFract="0.47469982"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04833"
                           xFract="-0.0057263"
                           y3="6.50196"
                           yFract="0.77037441"
                           z3="8.43988"
                           zFract="0.37983258"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33595"
                           xFract="0.75070498"
                           y3="0.01329"
                           yFract="0.00157464"
                           z3="4.24548"
                           zFract="0.19106571"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24911"
                           xFract="0.0295154"
                           y3="1.98549"
                           yFract="0.23524763"
                           z3="9.0079"
                           zFract="0.40539604"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35844"
                           xFract="0.75336967"
                           y3="6.3162"
                           yFract="0.74836493"
                           z3="6.35479"
                           zFract="0.28599415"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20603"
                           xFract="0.49834479"
                           y3="6.33134"
                           yFract="0.75015877"
                           z3="4.22589"
                           zFract="0.19018407"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41258"
                           xFract="0.99675118"
                           y3="0.08241"
                           yFract="0.00976422"
                           z3="6.36368"
                           zFract="0.28639424"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41882"
                           xFract="0.99749052"
                           y3="2.11184"
                           yFract="0.25021801"
                           z3="4.20124"
                           zFract="0.18907471"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12876"
                           xFract="0.25222275"
                           y3="4.34919"
                           yFract="0.51530687"
                           z3="8.55028"
                           zFract="0.38480108"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08914"
                           xFract="0.24752844"
                           y3="4.2067"
                           yFract="0.49842417"
                           z3="4.27744"
                           zFract="0.19250405"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06664"
                           xFract="0.24486256"
                           y3="6.34871"
                           yFract="0.75221682"
                           z3="6.37708"
                           zFract="0.2869973"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09893"
                           xFract="0.24868839"
                           y3="0.01074"
                           yFract="0.00127251"
                           z3="4.23102"
                           zFract="0.19041494"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26573"
                           xFract="0.50541825"
                           y3="0.01429"
                           yFract="0.00169313"
                           z3="6.33005"
                           zFract="0.28488074"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36168"
                           xFract="0.75375355"
                           y3="2.1340"
                           yFract="0.2528436"
                           z3="6.38032"
                           zFract="0.28714311"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.68136"
                           xFract="0.79163033"
                           y3="4.0910"
                           yFract="0.48471564"
                           z3="8.65119"
                           zFract="0.38934248"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18168"
                           xFract="0.49545972"
                           y3="2.28356"
                           yFract="0.27056398"
                           z3="8.5224"
                           zFract="0.38354635"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4272"
                           xFract="0.99848341"
                           y3="6.3131"
                           yFract="0.74799763"
                           z3="4.25587"
                           zFract="0.1915333"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39273"
                           xFract="0.99439929"
                           y3="4.17403"
                           yFract="0.49455332"
                           z3="6.46264"
                           zFract="0.29084788"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21307"
                           xFract="0.49917891"
                           y3="2.11677"
                           yFract="0.25080213"
                           z3="4.23542"
                           zFract="0.19061296"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03164"
                           xFract="0.24071564"
                           y3="2.08648"
                           yFract="0.24721327"
                           z3="6.43888"
                           zFract="0.28977858"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36503"
                           xFract="0.75415047"
                           y3="4.21112"
                           yFract="0.49894787"
                           z3="4.24715"
                           zFract="0.19114086"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.54245"
                           xFract="0.53820498"
                           y3="6.2882"
                           yFract="0.74504739"
                           z3="8.53101"
                           zFract="0.38393384"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27545"
                           xFract="0.50656991"
                           y3="4.19797"
                           yFract="0.49738981"
                           z3="6.45123"
                           zFract="0.29033438"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.26091"
                           xFract="0.26788033"
                           y3="-0.0752"
                           yFract="-0.00890995"
                           z3="8.46627"
                           zFract="0.38102025"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29627"
                           xFract="0.74600355"
                           y3="0.48478"
                           yFract="0.05743839"
                           z3="8.48796"
                           zFract="0.3819964"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27212"
                           xFract="0.980109"
                           y3="2.04057"
                           yFract="0.2417737"
                           z3="6.22257"
                           zFract="0.28004365"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17534"
                           xFract="0.25774171"
                           y3="8.43082"
                           yFract="0.99891232"
                           z3="6.30918"
                           zFract="0.28394149"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0025"
                           xFract="0.00029621"
                           y3="0.00994"
                           yFract="0.00117773"
                           z3="4.26162"
                           zFract="0.19179208"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32422"
                           xFract="0.98628199"
                           y3="0.1742"
                           yFract="0.02063981"
                           z3="8.38511"
                           zFract="0.37736769"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12026"
                           xFract="0.25121564"
                           y3="2.11691"
                           yFract="0.25081872"
                           z3="4.30433"
                           zFract="0.19371422"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09238"
                           xFract="0.24791232"
                           y3="1.90235"
                           yFract="0.22539692"
                           z3="8.52864"
                           zFract="0.38382718"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42104"
                           xFract="0.52381991"
                           y3="2.1043"
                           yFract="0.24932464"
                           z3="6.3455"
                           zFract="0.28557606"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32956"
                           xFract="0.74994787"
                           y3="8.34006"
                           yFract="0.98815877"
                           z3="6.3017"
                           zFract="0.28360486"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21244"
                           xFract="0.49910427"
                           y3="8.31678"
                           yFract="0.98540047"
                           z3="4.20554"
                           zFract="0.18926823"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.4070"
                           xFract="0.5221564"
                           y3="-0.14124"
                           yFract="-0.0167346"
                           z3="8.4898"
                           zFract="0.38207921"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29316"
                           xFract="0.74563507"
                           y3="2.07415"
                           yFract="0.24575237"
                           z3="4.04711"
                           zFract="0.18213816"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.87681"
                           xFract="0.81478791"
                           y3="2.27325"
                           yFract="0.26934242"
                           z3="9.19334"
                           zFract="0.41374167"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40427"
                           xFract="0.99576659"
                           y3="6.51267"
                           yFract="0.77164336"
                           z3="6.36204"
                           zFract="0.28632043"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9370"
                           xFract="0.22950237"
                           y3="4.23958"
                           yFract="0.50231991"
                           z3="6.47811"
                           zFract="0.2915441"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02683"
                           xFract="0.00317891"
                           y3="4.19972"
                           yFract="0.49759716"
                           z3="4.12656"
                           zFract="0.18571377"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.64045"
                           xFract="0.0758827"
                           y3="3.74556"
                           yFract="0.44378673"
                           z3="9.66493"
                           zFract="0.43496535"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20904"
                           xFract="0.2617346"
                           y3="6.32068"
                           yFract="0.74889573"
                           z3="4.28805"
                           zFract="0.19298155"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92614"
                           xFract="0.22821564"
                           y3="6.41732"
                           yFract="0.76034597"
                           z3="8.47192"
                           zFract="0.38127453"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23643"
                           xFract="0.50194668"
                           y3="6.33467"
                           yFract="0.75055332"
                           z3="6.24437"
                           zFract="0.28102475"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42221"
                           xFract="0.76092536"
                           y3="4.30246"
                           yFract="0.50977014"
                           z3="6.2984"
                           zFract="0.28345635"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18646"
                           xFract="0.49602607"
                           y3="4.35906"
                           yFract="0.5164763"
                           z3="4.29494"
                           zFract="0.19329163"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1062"
                           xFract="0.48651659"
                           y3="4.34223"
                           yFract="0.51448223"
                           z3="8.52618"
                           zFract="0.38371647"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18483"
                           xFract="0.73279976"
                           y3="6.36617"
                           yFract="0.75428555"
                           z3="4.21176"
                           zFract="0.18954815"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.55143"
                           xFract="0.77623578"
                           y3="6.03481"
                           yFract="0.71502488"
                           z3="8.43772"
                           zFract="0.37973537"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.207">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26135"
                           xFract="0.03096564"
                           y3="3.90382"
                           yFract="0.46253791"
                           z3="10.54703"
                           zFract="0.47466382"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04833"
                           xFract="-0.0057263"
                           y3="6.50182"
                           yFract="0.77035782"
                           z3="8.43999"
                           zFract="0.37983753"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33588"
                           xFract="0.75069668"
                           y3="0.01326"
                           yFract="0.00157109"
                           z3="4.24551"
                           zFract="0.19106706"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.24889"
                           xFract="0.02948934"
                           y3="1.98581"
                           yFract="0.23528555"
                           z3="9.00776"
                           zFract="0.40538974"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35843"
                           xFract="0.75336848"
                           y3="6.31617"
                           yFract="0.74836137"
                           z3="6.35488"
                           zFract="0.2859982"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20596"
                           xFract="0.49833649"
                           y3="6.33139"
                           yFract="0.75016469"
                           z3="4.22585"
                           zFract="0.19018227"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41261"
                           xFract="0.99675474"
                           y3="0.08239"
                           yFract="0.00976185"
                           z3="6.36382"
                           zFract="0.28640054"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41877"
                           xFract="0.9974846"
                           y3="2.11182"
                           yFract="0.25021564"
                           z3="4.20123"
                           zFract="0.18907426"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12904"
                           xFract="0.25225592"
                           y3="4.34866"
                           yFract="0.51524408"
                           z3="8.55008"
                           zFract="0.38479208"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08915"
                           xFract="0.24752962"
                           y3="4.20673"
                           yFract="0.49842773"
                           z3="4.27749"
                           zFract="0.1925063"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06664"
                           xFract="0.24486256"
                           y3="6.34854"
                           yFract="0.75219668"
                           z3="6.37714"
                           zFract="0.2870"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0989"
                           xFract="0.24868483"
                           y3="0.01065"
                           yFract="0.00126185"
                           z3="4.2311"
                           zFract="0.19041854"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26564"
                           xFract="0.50540758"
                           y3="0.01439"
                           yFract="0.00170498"
                           z3="6.33003"
                           zFract="0.28487984"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36163"
                           xFract="0.75374763"
                           y3="2.13386"
                           yFract="0.25282701"
                           z3="6.38025"
                           zFract="0.28713996"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.68049"
                           xFract="0.79152725"
                           y3="4.0910"
                           yFract="0.48471564"
                           z3="8.65119"
                           zFract="0.38934248"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18172"
                           xFract="0.49546445"
                           y3="2.28291"
                           yFract="0.27048697"
                           z3="8.52236"
                           zFract="0.38354455"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42726"
                           xFract="0.99849052"
                           y3="6.31305"
                           yFract="0.74799171"
                           z3="4.25591"
                           zFract="0.1915351"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39271"
                           xFract="0.99439692"
                           y3="4.17401"
                           yFract="0.49455095"
                           z3="6.4626"
                           zFract="0.29084608"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21299"
                           xFract="0.49916943"
                           y3="2.11673"
                           yFract="0.25079739"
                           z3="4.23522"
                           zFract="0.19060396"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03163"
                           xFract="0.24071445"
                           y3="2.08654"
                           yFract="0.24722038"
                           z3="6.43876"
                           zFract="0.28977318"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36499"
                           xFract="0.75414573"
                           y3="4.21108"
                           yFract="0.49894313"
                           z3="4.24721"
                           zFract="0.19114356"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.54192"
                           xFract="0.53814218"
                           y3="6.28843"
                           yFract="0.74507464"
                           z3="8.53068"
                           zFract="0.38391899"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27545"
                           xFract="0.50656991"
                           y3="4.1978"
                           yFract="0.49736967"
                           z3="6.45121"
                           zFract="0.29033348"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.26033"
                           xFract="0.26781161"
                           y3="-0.0750"
                           yFract="-0.00888626"
                           z3="8.46615"
                           zFract="0.38101485"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2964"
                           xFract="0.74601896"
                           y3="0.48449"
                           yFract="0.05740403"
                           z3="8.48772"
                           zFract="0.3819856"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27204"
                           xFract="0.98009953"
                           y3="2.04057"
                           yFract="0.2417737"
                           z3="6.22246"
                           zFract="0.2800387"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17513"
                           xFract="0.25771682"
                           y3="8.43083"
                           yFract="0.99891351"
                           z3="6.30915"
                           zFract="0.28394014"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0026"
                           xFract="0.00030806"
                           y3="0.0098"
                           yFract="0.00116114"
                           z3="4.2616"
                           zFract="0.19179118"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32432"
                           xFract="0.98629384"
                           y3="0.17415"
                           yFract="0.02063389"
                           z3="8.38524"
                           zFract="0.37737354"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1202"
                           xFract="0.25120853"
                           y3="2.11686"
                           yFract="0.2508128"
                           z3="4.30418"
                           zFract="0.19370747"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09221"
                           xFract="0.24789218"
                           y3="1.90286"
                           yFract="0.22545735"
                           z3="8.52861"
                           zFract="0.38382583"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42101"
                           xFract="0.52381635"
                           y3="2.10432"
                           yFract="0.24932701"
                           z3="6.3451"
                           zFract="0.28555806"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32956"
                           xFract="0.74994787"
                           y3="8.34001"
                           yFract="0.98815284"
                           z3="6.30186"
                           zFract="0.28361206"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2124"
                           xFract="0.49909953"
                           y3="8.3167"
                           yFract="0.985391"
                           z3="4.20552"
                           zFract="0.18926733"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40679"
                           xFract="0.52213152"
                           y3="-0.14054"
                           yFract="-0.01665166"
                           z3="8.48985"
                           zFract="0.38208146"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29326"
                           xFract="0.74564692"
                           y3="2.07416"
                           yFract="0.24575355"
                           z3="4.04699"
                           zFract="0.18213276"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.87616"
                           xFract="0.8147109"
                           y3="2.2733"
                           yFract="0.26934834"
                           z3="9.19338"
                           zFract="0.41374347"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40432"
                           xFract="0.99577251"
                           y3="6.51262"
                           yFract="0.77163744"
                           z3="6.36232"
                           zFract="0.28633303"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9370"
                           xFract="0.22950237"
                           y3="4.23972"
                           yFract="0.50233649"
                           z3="6.47796"
                           zFract="0.29153735"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02686"
                           xFract="0.00318246"
                           y3="4.1997"
                           yFract="0.49759479"
                           z3="4.12649"
                           zFract="0.18571062"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.63915"
                           xFract="0.07572867"
                           y3="3.74658"
                           yFract="0.44390758"
                           z3="9.66464"
                           zFract="0.4349523"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20912"
                           xFract="0.26174408"
                           y3="6.3207"
                           yFract="0.7488981"
                           z3="4.28811"
                           zFract="0.19298425"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92645"
                           xFract="0.22825237"
                           y3="6.41709"
                           yFract="0.76031872"
                           z3="8.47194"
                           zFract="0.38127543"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23637"
                           xFract="0.50193957"
                           y3="6.33471"
                           yFract="0.75055806"
                           z3="6.2447"
                           zFract="0.2810396"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42224"
                           xFract="0.76092891"
                           y3="4.30234"
                           yFract="0.50975592"
                           z3="6.29853"
                           zFract="0.2834622"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18647"
                           xFract="0.49602725"
                           y3="4.35907"
                           yFract="0.51647749"
                           z3="4.29489"
                           zFract="0.19328938"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10644"
                           xFract="0.48654502"
                           y3="4.34166"
                           yFract="0.51441469"
                           z3="8.52608"
                           zFract="0.38371197"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18481"
                           xFract="0.73279739"
                           y3="6.36608"
                           yFract="0.75427488"
                           z3="4.21184"
                           zFract="0.18955176"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.55117"
                           xFract="0.77620498"
                           y3="6.03486"
                           yFract="0.71503081"
                           z3="8.43771"
                           zFract="0.37973492"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.208">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26104"
                           xFract="0.03092891"
                           y3="3.90244"
                           yFract="0.46237441"
                           z3="10.54813"
                           zFract="0.47471332"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04852"
                           xFract="-0.00574882"
                           y3="6.50214"
                           yFract="0.77039573"
                           z3="8.43977"
                           zFract="0.37982763"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33607"
                           xFract="0.75071919"
                           y3="0.01335"
                           yFract="0.00158175"
                           z3="4.24546"
                           zFract="0.19106481"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.25097"
                           xFract="0.02973578"
                           y3="1.98451"
                           yFract="0.23513152"
                           z3="9.00789"
                           zFract="0.40539559"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35859"
                           xFract="0.75338744"
                           y3="6.31644"
                           yFract="0.74839336"
                           z3="6.35475"
                           zFract="0.28599235"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20596"
                           xFract="0.49833649"
                           y3="6.33189"
                           yFract="0.75022393"
                           z3="4.2260"
                           zFract="0.19018902"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41258"
                           xFract="0.99675118"
                           y3="0.08229"
                           yFract="0.00975"
                           z3="6.36349"
                           zFract="0.28638569"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41893"
                           xFract="0.99750355"
                           y3="2.11187"
                           yFract="0.25022156"
                           z3="4.20117"
                           zFract="0.18907156"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12833"
                           xFract="0.2521718"
                           y3="4.35031"
                           yFract="0.51543957"
                           z3="8.55064"
                           zFract="0.38481728"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08904"
                           xFract="0.24751659"
                           y3="4.20661"
                           yFract="0.49841351"
                           z3="4.27727"
                           zFract="0.1924964"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06665"
                           xFract="0.24486374"
                           y3="6.34913"
                           yFract="0.75226659"
                           z3="6.37697"
                           zFract="0.28699235"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09903"
                           xFract="0.24870024"
                           y3="0.01089"
                           yFract="0.00129028"
                           z3="4.23085"
                           zFract="0.19040729"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26605"
                           xFract="0.50545616"
                           y3="0.01404"
                           yFract="0.00166351"
                           z3="6.32996"
                           zFract="0.28487669"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36171"
                           xFract="0.75375711"
                           y3="2.13426"
                           yFract="0.25287441"
                           z3="6.38016"
                           zFract="0.28713591"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.68308"
                           xFract="0.79183412"
                           y3="4.09096"
                           yFract="0.4847109"
                           z3="8.65109"
                           zFract="0.38933798"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18135"
                           xFract="0.49542062"
                           y3="2.28486"
                           yFract="0.27071801"
                           z3="8.52243"
                           zFract="0.3835477"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42705"
                           xFract="0.99846564"
                           y3="6.3132"
                           yFract="0.74800948"
                           z3="4.25579"
                           zFract="0.1915297"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39284"
                           xFract="0.99441232"
                           y3="4.17412"
                           yFract="0.49456398"
                           z3="6.46261"
                           zFract="0.29084653"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2132"
                           xFract="0.49919431"
                           y3="2.1168"
                           yFract="0.25080569"
                           z3="4.23589"
                           zFract="0.19063411"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03165"
                           xFract="0.24071682"
                           y3="2.08628"
                           yFract="0.24718957"
                           z3="6.43917"
                           zFract="0.28979163"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3651"
                           xFract="0.75415877"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="4.24694"
                           zFract="0.19113141"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.54373"
                           xFract="0.53835664"
                           y3="6.28769"
                           yFract="0.74498697"
                           z3="8.53163"
                           zFract="0.38396175"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27541"
                           xFract="0.50656517"
                           y3="4.1982"
                           yFract="0.49741706"
                           z3="6.45144"
                           zFract="0.29034383"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.26198"
                           xFract="0.26800711"
                           y3="-0.07538"
                           yFract="-0.00893128"
                           z3="8.46664"
                           zFract="0.3810369"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29582"
                           xFract="0.74595024"
                           y3="0.48543"
                           yFract="0.0575154"
                           z3="8.48841"
                           zFract="0.38201665"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27214"
                           xFract="0.98011137"
                           y3="2.04035"
                           yFract="0.24174763"
                           z3="6.2231"
                           zFract="0.28006751"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17576"
                           xFract="0.25779147"
                           y3="8.43093"
                           yFract="0.99892536"
                           z3="6.3092"
                           zFract="0.28394239"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0024"
                           xFract="0.00028436"
                           y3="0.01017"
                           yFract="0.00120498"
                           z3="4.26156"
                           zFract="0.19178938"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32408"
                           xFract="0.9862654"
                           y3="0.17425"
                           yFract="0.02064573"
                           z3="8.38481"
                           zFract="0.37735419"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12043"
                           xFract="0.25123578"
                           y3="2.11713"
                           yFract="0.25084479"
                           z3="4.30466"
                           zFract="0.19372907"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09239"
                           xFract="0.24791351"
                           y3="1.90136"
                           yFract="0.22527962"
                           z3="8.52856"
                           zFract="0.38382358"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42106"
                           xFract="0.52382227"
                           y3="2.10443"
                           yFract="0.24934005"
                           z3="6.34637"
                           zFract="0.28561521"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.32972"
                           xFract="0.74996682"
                           y3="8.34018"
                           yFract="0.98817299"
                           z3="6.30151"
                           zFract="0.28359631"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21259"
                           xFract="0.49912204"
                           y3="8.31675"
                           yFract="0.98539692"
                           z3="4.20553"
                           zFract="0.18926778"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40739"
                           xFract="0.52220261"
                           y3="-0.14277"
                           yFract="-0.01691588"
                           z3="8.48945"
                           zFract="0.38206346"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29298"
                           xFract="0.74561374"
                           y3="2.0741"
                           yFract="0.24574645"
                           z3="4.0474"
                           zFract="0.18215122"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.87751"
                           xFract="0.81487085"
                           y3="2.27353"
                           yFract="0.26937559"
                           z3="9.19371"
                           zFract="0.41375833"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40437"
                           xFract="0.99577844"
                           y3="6.51279"
                           yFract="0.77165758"
                           z3="6.36127"
                           zFract="0.28628578"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93701"
                           xFract="0.22950355"
                           y3="4.23931"
                           yFract="0.50228791"
                           z3="6.4785"
                           zFract="0.29156166"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02677"
                           xFract="0.0031718"
                           y3="4.19957"
                           yFract="0.49757938"
                           z3="4.12662"
                           zFract="0.18571647"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.64233"
                           xFract="0.07610545"
                           y3="3.74378"
                           yFract="0.44357583"
                           z3="9.66724"
                           zFract="0.43506931"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20886"
                           xFract="0.26171327"
                           y3="6.32054"
                           yFract="0.74887915"
                           z3="4.2880"
                           zFract="0.1929793"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92538"
                           xFract="0.22812559"
                           y3="6.41777"
                           yFract="0.76039929"
                           z3="8.4720"
                           zFract="0.38127813"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23651"
                           xFract="0.50195616"
                           y3="6.33451"
                           yFract="0.75053436"
                           z3="6.24375"
                           zFract="0.28099685"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42221"
                           xFract="0.76092536"
                           y3="4.30281"
                           yFract="0.50981161"
                           z3="6.29813"
                           zFract="0.28344419"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18645"
                           xFract="0.49602488"
                           y3="4.35888"
                           yFract="0.51645498"
                           z3="4.29513"
                           zFract="0.19330018"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10566"
                           xFract="0.48645261"
                           y3="4.34316"
                           yFract="0.51459242"
                           z3="8.5264"
                           zFract="0.38372637"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18495"
                           xFract="0.73281398"
                           y3="6.36628"
                           yFract="0.75429858"
                           z3="4.21165"
                           zFract="0.1895432"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.55204"
                           xFract="0.77630806"
                           y3="6.0347"
                           yFract="0.71501185"
                           z3="8.43769"
                           zFract="0.37973402"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.209">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.26013"
                           xFract="0.03082109"
                           y3="3.89831"
                           yFract="0.46188507"
                           z3="10.55144"
                           zFract="0.47486229"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.04912"
                           xFract="-0.00581991"
                           y3="6.50309"
                           yFract="0.77050829"
                           z3="8.43911"
                           zFract="0.37979793"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33665"
                           xFract="0.75078791"
                           y3="0.01362"
                           yFract="0.00161374"
                           z3="4.24531"
                           zFract="0.19105806"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.25718"
                           xFract="0.03047156"
                           y3="1.9806"
                           yFract="0.23466825"
                           z3="9.00827"
                           zFract="0.40541269"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.35907"
                           xFract="0.75344431"
                           y3="6.31724"
                           yFract="0.74848815"
                           z3="6.35439"
                           zFract="0.28597615"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20597"
                           xFract="0.49833768"
                           y3="6.33338"
                           yFract="0.75040047"
                           z3="4.22645"
                           zFract="0.19020927"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41252"
                           xFract="0.99674408"
                           y3="0.08199"
                           yFract="0.00971445"
                           z3="6.36249"
                           zFract="0.28634068"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41939"
                           xFract="0.99755806"
                           y3="2.11203"
                           yFract="0.25024052"
                           z3="4.20097"
                           zFract="0.18906256"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12619"
                           xFract="0.25191825"
                           y3="4.35527"
                           yFract="0.51602725"
                           z3="8.55231"
                           zFract="0.38489244"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08871"
                           xFract="0.24747749"
                           y3="4.20625"
                           yFract="0.49837085"
                           z3="4.27661"
                           zFract="0.1924667"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06668"
                           xFract="0.2448673"
                           y3="6.35088"
                           yFract="0.75247393"
                           z3="6.37645"
                           zFract="0.28696895"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09943"
                           xFract="0.24874763"
                           y3="0.0116"
                           yFract="0.00137441"
                           z3="4.23008"
                           zFract="0.19037264"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2673"
                           xFract="0.50560427"
                           y3="0.01299"
                           yFract="0.0015391"
                           z3="6.32975"
                           zFract="0.28486724"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36197"
                           xFract="0.75378791"
                           y3="2.13548"
                           yFract="0.25301896"
                           z3="6.37989"
                           zFract="0.28712376"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.69083"
                           xFract="0.79275237"
                           y3="4.09084"
                           yFract="0.48469668"
                           z3="8.65082"
                           zFract="0.38932583"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.18026"
                           xFract="0.49529147"
                           y3="2.29072"
                           yFract="0.27141232"
                           z3="8.52263"
                           zFract="0.38355671"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42643"
                           xFract="0.99839218"
                           y3="6.31363"
                           yFract="0.74806043"
                           z3="4.25543"
                           zFract="0.1915135"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39324"
                           xFract="0.99445972"
                           y3="4.17446"
                           yFract="0.49460427"
                           z3="6.46264"
                           zFract="0.29084788"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21382"
                           xFract="0.49926777"
                           y3="2.1170"
                           yFract="0.25082938"
                           z3="4.2379"
                           zFract="0.19072457"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03171"
                           xFract="0.24072393"
                           y3="2.08551"
                           yFract="0.24709834"
                           z3="6.4404"
                           zFract="0.28984698"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3654"
                           xFract="0.75419431"
                           y3="4.21146"
                           yFract="0.49898815"
                           z3="4.24614"
                           zFract="0.19109541"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.54916"
                           xFract="0.5390"
                           y3="6.28547"
                           yFract="0.74472393"
                           z3="8.53449"
                           zFract="0.38409046"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27527"
                           xFract="0.50654858"
                           y3="4.19942"
                           yFract="0.49756161"
                           z3="6.45214"
                           zFract="0.29037534"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.26695"
                           xFract="0.26859597"
                           y3="-0.07654"
                           yFract="-0.00906872"
                           z3="8.46812"
                           zFract="0.38110351"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29408"
                           xFract="0.74574408"
                           y3="0.48826"
                           yFract="0.05785071"
                           z3="8.4905"
                           zFract="0.38211071"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27244"
                           xFract="0.98014692"
                           y3="2.03969"
                           yFract="0.24166943"
                           z3="6.22501"
                           zFract="0.28015347"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.17764"
                           xFract="0.25801422"
                           y3="8.43124"
                           yFract="0.99896209"
                           z3="6.30935"
                           zFract="0.28394914"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00181"
                           xFract="0.00021445"
                           y3="0.01127"
                           yFract="0.00133531"
                           z3="4.26144"
                           zFract="0.19178398"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32337"
                           xFract="0.98618128"
                           y3="0.17456"
                           yFract="0.02068246"
                           z3="8.38353"
                           zFract="0.37729658"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12113"
                           xFract="0.25131872"
                           y3="2.11794"
                           yFract="0.25094076"
                           z3="4.3061"
                           zFract="0.19379388"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09294"
                           xFract="0.24797867"
                           y3="1.89686"
                           yFract="0.22474645"
                           z3="8.52843"
                           zFract="0.38381773"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42119"
                           xFract="0.52383768"
                           y3="2.10475"
                           yFract="0.24937796"
                           z3="6.35016"
                           zFract="0.28578578"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33021"
                           xFract="0.75002488"
                           y3="8.3407"
                           yFract="0.9882346"
                           z3="6.30046"
                           zFract="0.28354905"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21316"
                           xFract="0.49918957"
                           y3="8.3169"
                           yFract="0.98541469"
                           z3="4.20556"
                           zFract="0.18926913"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.40919"
                           xFract="0.52241588"
                           y3="-0.14945"
                           yFract="-0.01770735"
                           z3="8.48827"
                           zFract="0.38201035"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29215"
                           xFract="0.7455154"
                           y3="2.07391"
                           yFract="0.24572393"
                           z3="4.04865"
                           zFract="0.18220747"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.88157"
                           xFract="0.8153519"
                           y3="2.27425"
                           yFract="0.2694609"
                           z3="9.19469"
                           zFract="0.41380243"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40453"
                           xFract="0.99579739"
                           y3="6.5133"
                           yFract="0.77171801"
                           z3="6.35814"
                           zFract="0.28614491"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93701"
                           xFract="0.22950355"
                           y3="4.23808"
                           yFract="0.50214218"
                           z3="6.4801"
                           zFract="0.29163366"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02649"
                           xFract="0.00313863"
                           y3="4.19917"
                           yFract="0.49753199"
                           z3="4.12702"
                           zFract="0.18573447"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.65187"
                           xFract="0.07723578"
                           y3="3.73538"
                           yFract="0.44258057"
                           z3="9.67504"
                           zFract="0.43542034"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20811"
                           xFract="0.26162441"
                           y3="6.32004"
                           yFract="0.74881991"
                           z3="4.28766"
                           zFract="0.192964"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.92218"
                           xFract="0.22774645"
                           y3="6.4198"
                           yFract="0.76063981"
                           z3="8.47218"
                           zFract="0.38128623"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23696"
                           xFract="0.50200948"
                           y3="6.33388"
                           yFract="0.75045972"
                           z3="6.24091"
                           zFract="0.28086904"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42214"
                           xFract="0.76091706"
                           y3="4.30423"
                           yFract="0.50997986"
                           z3="6.29691"
                           zFract="0.28338929"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18637"
                           xFract="0.4960154"
                           y3="4.35833"
                           yFract="0.51638981"
                           z3="4.29585"
                           zFract="0.19333258"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.10333"
                           xFract="0.48617654"
                           y3="4.34765"
                           yFract="0.51512441"
                           z3="8.52737"
                           zFract="0.38377003"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18537"
                           xFract="0.73286374"
                           y3="6.36689"
                           yFract="0.75437085"
                           z3="4.2111"
                           zFract="0.18951845"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.55464"
                           xFract="0.77661611"
                           y3="6.03422"
                           yFract="0.71495498"
                           z3="8.43765"
                           zFract="0.37973222"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.210">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25831"
                           xFract="0.03060545"
                           y3="3.89005"
                           yFract="0.4609064"
                           z3="10.55806"
                           zFract="0.47516022"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0503"
                           xFract="-0.00595972"
                           y3="6.50499"
                           yFract="0.77073341"
                           z3="8.4378"
                           zFract="0.37973897"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33781"
                           xFract="0.75092536"
                           y3="0.01415"
                           yFract="0.00167654"
                           z3="4.24502"
                           zFract="0.191045"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.26962"
                           xFract="0.0319455"
                           y3="1.97278"
                           yFract="0.23374171"
                           z3="9.00903"
                           zFract="0.40544689"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36001"
                           xFract="0.75355569"
                           y3="6.31884"
                           yFract="0.74867773"
                           z3="6.35365"
                           zFract="0.28594284"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20599"
                           xFract="0.49834005"
                           y3="6.33638"
                           yFract="0.75075592"
                           z3="4.22734"
                           zFract="0.19024932"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41238"
                           xFract="0.99672749"
                           y3="0.0814"
                           yFract="0.00964455"
                           z3="6.3605"
                           zFract="0.28625113"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42031"
                           xFract="0.99766706"
                           y3="2.11233"
                           yFract="0.25027607"
                           z3="4.20058"
                           zFract="0.189045"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1219"
                           xFract="0.25140995"
                           y3="4.36518"
                           yFract="0.51720142"
                           z3="8.55564"
                           zFract="0.3850423"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08806"
                           xFract="0.24740047"
                           y3="4.20554"
                           yFract="0.49828673"
                           z3="4.27529"
                           zFract="0.19240729"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06674"
                           xFract="0.24487441"
                           y3="6.3544"
                           yFract="0.752891"
                           z3="6.37543"
                           zFract="0.28692304"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10022"
                           xFract="0.24884123"
                           y3="0.01301"
                           yFract="0.00154147"
                           z3="4.22854"
                           zFract="0.19030333"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.26979"
                           xFract="0.50589929"
                           y3="0.01088"
                           yFract="0.0012891"
                           z3="6.32934"
                           zFract="0.28484878"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36248"
                           xFract="0.75384834"
                           y3="2.13792"
                           yFract="0.25330806"
                           z3="6.37936"
                           zFract="0.28709991"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.70634"
                           xFract="0.79459005"
                           y3="4.09059"
                           yFract="0.48466706"
                           z3="8.65026"
                           zFract="0.38930063"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17806"
                           xFract="0.49503081"
                           y3="2.30245"
                           yFract="0.27280213"
                           z3="8.52304"
                           zFract="0.38357516"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42519"
                           xFract="0.99824526"
                           y3="6.31449"
                           yFract="0.74816232"
                           z3="4.2547"
                           zFract="0.19148065"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39403"
                           xFract="0.99455332"
                           y3="4.17513"
                           yFract="0.49468365"
                           z3="6.46269"
                           zFract="0.29085014"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21508"
                           xFract="0.49941706"
                           y3="2.11741"
                           yFract="0.25087796"
                           z3="4.24192"
                           zFract="0.19090549"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03182"
                           xFract="0.24073697"
                           y3="2.08396"
                           yFract="0.24691469"
                           z3="6.44285"
                           zFract="0.28995725"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36602"
                           xFract="0.75426777"
                           y3="4.21204"
                           yFract="0.49905687"
                           z3="4.24454"
                           zFract="0.1910234"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.56002"
                           xFract="0.54028673"
                           y3="6.28103"
                           yFract="0.74419787"
                           z3="8.5402"
                           zFract="0.38434743"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2750"
                           xFract="0.50651659"
                           y3="4.20187"
                           yFract="0.4978519"
                           z3="6.45353"
                           zFract="0.29043789"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.27688"
                           xFract="0.26977251"
                           y3="-0.07885"
                           yFract="-0.00934242"
                           z3="8.47108"
                           zFract="0.38123672"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29059"
                           xFract="0.74533057"
                           y3="0.49393"
                           yFract="0.05852251"
                           z3="8.49466"
                           zFract="0.38229793"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27303"
                           xFract="0.98021682"
                           y3="2.03837"
                           yFract="0.24151303"
                           z3="6.22884"
                           zFract="0.28032583"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18139"
                           xFract="0.25845853"
                           y3="8.43186"
                           yFract="0.99903555"
                           z3="6.30966"
                           zFract="0.2839631"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00062"
                           xFract="0.00007346"
                           y3="0.01348"
                           yFract="0.00159716"
                           z3="4.26119"
                           zFract="0.19177273"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32194"
                           xFract="0.98601185"
                           y3="0.17517"
                           yFract="0.02075474"
                           z3="8.38096"
                           zFract="0.37718092"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12252"
                           xFract="0.25148341"
                           y3="2.11955"
                           yFract="0.25113152"
                           z3="4.30898"
                           zFract="0.19392349"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09403"
                           xFract="0.24810782"
                           y3="1.88786"
                           yFract="0.22368009"
                           z3="8.52817"
                           zFract="0.38380603"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42147"
                           xFract="0.52387085"
                           y3="2.1054"
                           yFract="0.24945498"
                           z3="6.35774"
                           zFract="0.28612691"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33118"
                           xFract="0.75013981"
                           y3="8.34174"
                           yFract="0.98835782"
                           z3="6.29834"
                           zFract="0.28345365"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2143"
                           xFract="0.49932464"
                           y3="8.31721"
                           yFract="0.98545142"
                           z3="4.20563"
                           zFract="0.18927228"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.41281"
                           xFract="0.52284479"
                           y3="-0.16282"
                           yFract="-0.01929147"
                           z3="8.4859"
                           zFract="0.38190369"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29048"
                           xFract="0.74531754"
                           y3="2.07353"
                           yFract="0.24567891"
                           z3="4.05115"
                           zFract="0.18231998"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.88969"
                           xFract="0.81631398"
                           y3="2.27567"
                           yFract="0.26962915"
                           z3="9.19667"
                           zFract="0.41389154"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40485"
                           xFract="0.99583531"
                           y3="6.51432"
                           yFract="0.77183886"
                           z3="6.35187"
                           zFract="0.28586274"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93703"
                           xFract="0.22950592"
                           y3="4.23561"
                           yFract="0.50184953"
                           z3="6.4833"
                           zFract="0.29177768"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02595"
                           xFract="0.00307464"
                           y3="4.19839"
                           yFract="0.49743957"
                           z3="4.1278"
                           zFract="0.18576958"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.67094"
                           xFract="0.07949526"
                           y3="3.71858"
                           yFract="0.44059005"
                           z3="9.69063"
                           zFract="0.43612196"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20661"
                           xFract="0.26144668"
                           y3="6.31904"
                           yFract="0.74870142"
                           z3="4.28698"
                           zFract="0.19293339"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.91576"
                           xFract="0.22698578"
                           y3="6.42387"
                           yFract="0.76112204"
                           z3="8.47255"
                           zFract="0.38130288"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23786"
                           xFract="0.50211611"
                           y3="6.33264"
                           yFract="0.7503128"
                           z3="6.23523"
                           zFract="0.28061341"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42199"
                           xFract="0.76089929"
                           y3="4.30708"
                           yFract="0.51031754"
                           z3="6.29447"
                           zFract="0.28327948"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18622"
                           xFract="0.49599763"
                           y3="4.35723"
                           yFract="0.51625948"
                           z3="4.29728"
                           zFract="0.19339694"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.09865"
                           xFract="0.48562204"
                           y3="4.35663"
                           yFract="0.51618839"
                           z3="8.52931"
                           zFract="0.38385734"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1862"
                           xFract="0.73296209"
                           y3="6.36811"
                           yFract="0.7545154"
                           z3="4.20998"
                           zFract="0.18946805"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.55985"
                           xFract="0.77723341"
                           y3="6.03326"
                           yFract="0.71484123"
                           z3="8.43756"
                           zFract="0.37972817"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.211">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25892"
                           xFract="0.03067773"
                           y3="3.8872"
                           yFract="0.46056872"
                           z3="10.55715"
                           zFract="0.47511926"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05051"
                           xFract="-0.0059846"
                           y3="6.50569"
                           yFract="0.77081635"
                           z3="8.43744"
                           zFract="0.37972277"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3380"
                           xFract="0.75094787"
                           y3="0.01432"
                           yFract="0.00169668"
                           z3="4.24493"
                           zFract="0.19104095"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2719"
                           xFract="0.03221564"
                           y3="1.97058"
                           yFract="0.23348104"
                           z3="9.00968"
                           zFract="0.40547615"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36024"
                           xFract="0.75358294"
                           y3="6.31934"
                           yFract="0.74873697"
                           z3="6.35342"
                           zFract="0.28593249"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20579"
                           xFract="0.49831635"
                           y3="6.33672"
                           yFract="0.75079621"
                           z3="4.22717"
                           zFract="0.19024167"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41239"
                           xFract="0.99672867"
                           y3="0.08132"
                           yFract="0.00963507"
                           z3="6.36044"
                           zFract="0.28624842"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42045"
                           xFract="0.99768365"
                           y3="2.11245"
                           yFract="0.25029028"
                           z3="4.20082"
                           zFract="0.18905581"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1209"
                           xFract="0.25129147"
                           y3="4.36831"
                           yFract="0.51757227"
                           z3="8.55651"
                           zFract="0.38508146"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08796"
                           xFract="0.24738863"
                           y3="4.20548"
                           yFract="0.49827962"
                           z3="4.2751"
                           zFract="0.19239874"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06672"
                           xFract="0.24487204"
                           y3="6.35511"
                           yFract="0.75297512"
                           z3="6.37522"
                           zFract="0.28691359"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10046"
                           xFract="0.24886967"
                           y3="0.01336"
                           yFract="0.00158294"
                           z3="4.22839"
                           zFract="0.19029658"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27062"
                           xFract="0.50599763"
                           y3="0.01035"
                           yFract="0.0012263"
                           z3="6.32918"
                           zFract="0.28484158"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36261"
                           xFract="0.75386374"
                           y3="2.13846"
                           yFract="0.25337204"
                           z3="6.37917"
                           zFract="0.28709136"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.71087"
                           xFract="0.79512678"
                           y3="4.0906"
                           yFract="0.48466825"
                           z3="8.6500"
                           zFract="0.38928893"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17707"
                           xFract="0.49491351"
                           y3="2.3061"
                           yFract="0.2732346"
                           z3="8.52289"
                           zFract="0.38356841"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42491"
                           xFract="0.99821209"
                           y3="6.31467"
                           yFract="0.74818365"
                           z3="4.25438"
                           zFract="0.19146625"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39424"
                           xFract="0.9945782"
                           y3="4.17531"
                           yFract="0.49470498"
                           z3="6.46272"
                           zFract="0.29085149"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21522"
                           xFract="0.49943365"
                           y3="2.11754"
                           yFract="0.25089336"
                           z3="4.24301"
                           zFract="0.19095455"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03184"
                           xFract="0.24073934"
                           y3="2.08348"
                           yFract="0.24685782"
                           z3="6.44352"
                           zFract="0.2899874"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36599"
                           xFract="0.75426422"
                           y3="4.21221"
                           yFract="0.49907701"
                           z3="4.24414"
                           zFract="0.1910054"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.56318"
                           xFract="0.54066114"
                           y3="6.27984"
                           yFract="0.74405687"
                           z3="8.54182"
                           zFract="0.38442034"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27487"
                           xFract="0.50650118"
                           y3="4.20245"
                           yFract="0.49792062"
                           z3="6.45402"
                           zFract="0.29045995"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.27963"
                           xFract="0.27009834"
                           y3="-0.07974"
                           yFract="-0.00944787"
                           z3="8.47195"
                           zFract="0.38127588"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28972"
                           xFract="0.74522749"
                           y3="0.49584"
                           yFract="0.05874882"
                           z3="8.49565"
                           zFract="0.38234248"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27304"
                           xFract="0.98021801"
                           y3="2.03779"
                           yFract="0.24144431"
                           z3="6.22964"
                           zFract="0.28036184"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18236"
                           xFract="0.25857346"
                           y3="8.43215"
                           yFract="0.99906991"
                           z3="6.30938"
                           zFract="0.2839505"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00075"
                           xFract="0.00008886"
                           y3="0.01409"
                           yFract="0.00166943"
                           z3="4.26091"
                           zFract="0.19176013"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32142"
                           xFract="0.98595024"
                           y3="0.17494"
                           yFract="0.02072749"
                           z3="8.37996"
                           zFract="0.37713591"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1230"
                           xFract="0.25154028"
                           y3="2.1199"
                           yFract="0.25117299"
                           z3="4.30968"
                           zFract="0.193955"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09553"
                           xFract="0.24828555"
                           y3="1.88537"
                           yFract="0.22338507"
                           z3="8.52772"
                           zFract="0.38378578"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42172"
                           xFract="0.52390047"
                           y3="2.10573"
                           yFract="0.24949408"
                           z3="6.36001"
                           zFract="0.28622907"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33158"
                           xFract="0.7501872"
                           y3="8.34201"
                           yFract="0.98838981"
                           z3="6.29799"
                           zFract="0.28343789"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21453"
                           xFract="0.4993519"
                           y3="8.31738"
                           yFract="0.98547156"
                           z3="4.20556"
                           zFract="0.18926913"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.4140"
                           xFract="0.52298578"
                           y3="-0.16656"
                           yFract="-0.0197346"
                           z3="8.48524"
                           zFract="0.38187399"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29014"
                           xFract="0.74527725"
                           y3="2.07347"
                           yFract="0.2456718"
                           z3="4.05167"
                           zFract="0.18234338"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.89223"
                           xFract="0.81661493"
                           y3="2.27623"
                           yFract="0.2696955"
                           z3="9.19755"
                           zFract="0.41393114"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40517"
                           xFract="0.99587322"
                           y3="6.51472"
                           yFract="0.77188626"
                           z3="6.3502"
                           zFract="0.28578758"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93706"
                           xFract="0.22950948"
                           y3="4.23527"
                           yFract="0.50180924"
                           z3="6.48429"
                           zFract="0.29182223"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02589"
                           xFract="0.00306754"
                           y3="4.19792"
                           yFract="0.49738389"
                           z3="4.12779"
                           zFract="0.18576913"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.67534"
                           xFract="0.08001659"
                           y3="3.71427"
                           yFract="0.44007938"
                           z3="9.69821"
                           zFract="0.4364631"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20622"
                           xFract="0.26140047"
                           y3="6.31896"
                           yFract="0.74869194"
                           z3="4.28697"
                           zFract="0.19293294"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.91379"
                           xFract="0.22675237"
                           y3="6.42482"
                           yFract="0.7612346"
                           z3="8.47267"
                           zFract="0.38130828"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2381"
                           xFract="0.50214455"
                           y3="6.33243"
                           yFract="0.75028791"
                           z3="6.2339"
                           zFract="0.28055356"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42206"
                           xFract="0.76090758"
                           y3="4.30785"
                           yFract="0.51040877"
                           z3="6.29392"
                           zFract="0.28325473"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18617"
                           xFract="0.49599171"
                           y3="4.35704"
                           yFract="0.51623697"
                           z3="4.29759"
                           zFract="0.19341089"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.09708"
                           xFract="0.48543602"
                           y3="4.3586"
                           yFract="0.5164218"
                           z3="8.52996"
                           zFract="0.38388659"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18655"
                           xFract="0.73300355"
                           y3="6.36838"
                           yFract="0.75454739"
                           z3="4.20972"
                           zFract="0.18945635"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.56149"
                           xFract="0.77742773"
                           y3="6.03248"
                           yFract="0.71474882"
                           z3="8.43744"
                           zFract="0.37972277"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.212">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25909"
                           xFract="0.03069787"
                           y3="3.88645"
                           yFract="0.46047986"
                           z3="10.55691"
                           zFract="0.47510846"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05056"
                           xFract="-0.00599052"
                           y3="6.50588"
                           yFract="0.77083886"
                           z3="8.43734"
                           zFract="0.37971827"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33805"
                           xFract="0.75095379"
                           y3="0.01437"
                           yFract="0.00170261"
                           z3="4.24491"
                           zFract="0.19104005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2725"
                           xFract="0.03228673"
                           y3="1.97001"
                           yFract="0.23341351"
                           z3="9.00985"
                           zFract="0.4054838"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3603"
                           xFract="0.75359005"
                           y3="6.31948"
                           yFract="0.74875355"
                           z3="6.35335"
                           zFract="0.28592934"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20574"
                           xFract="0.49831043"
                           y3="6.33682"
                           yFract="0.75080806"
                           z3="4.22713"
                           zFract="0.19023987"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4124"
                           xFract="0.99672986"
                           y3="0.0813"
                           yFract="0.0096327"
                           z3="6.36042"
                           zFract="0.28624752"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42048"
                           xFract="0.9976872"
                           y3="2.11248"
                           yFract="0.25029384"
                           z3="4.20089"
                           zFract="0.18905896"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12064"
                           xFract="0.25126066"
                           y3="4.36914"
                           yFract="0.51767062"
                           z3="8.55674"
                           zFract="0.38509181"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08793"
                           xFract="0.24738507"
                           y3="4.20546"
                           yFract="0.49827725"
                           z3="4.27505"
                           zFract="0.19239649"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06672"
                           xFract="0.24487204"
                           y3="6.3553"
                           yFract="0.75299763"
                           z3="6.37517"
                           zFract="0.28691134"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10053"
                           xFract="0.24887796"
                           y3="0.01346"
                           yFract="0.00159479"
                           z3="4.22835"
                           zFract="0.19029478"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27084"
                           xFract="0.5060237"
                           y3="0.01021"
                           yFract="0.00120972"
                           z3="6.32914"
                           zFract="0.28483978"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36264"
                           xFract="0.7538673"
                           y3="2.1386"
                           yFract="0.25338863"
                           z3="6.37912"
                           zFract="0.28708911"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.71206"
                           xFract="0.79526777"
                           y3="4.0906"
                           yFract="0.48466825"
                           z3="8.64993"
                           zFract="0.38928578"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1768"
                           xFract="0.49488152"
                           y3="2.30707"
                           yFract="0.27334953"
                           z3="8.52285"
                           zFract="0.38356661"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42483"
                           xFract="0.99820261"
                           y3="6.31472"
                           yFract="0.74818957"
                           z3="4.25429"
                           zFract="0.1914622"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3943"
                           xFract="0.99458531"
                           y3="4.17536"
                           yFract="0.4947109"
                           z3="6.46273"
                           zFract="0.29085194"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21526"
                           xFract="0.49943839"
                           y3="2.11757"
                           yFract="0.25089692"
                           z3="4.2433"
                           zFract="0.1909676"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03185"
                           xFract="0.24074052"
                           y3="2.08335"
                           yFract="0.24684242"
                           z3="6.44369"
                           zFract="0.28999505"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36599"
                           xFract="0.75426422"
                           y3="4.21226"
                           yFract="0.49908294"
                           z3="4.24404"
                           zFract="0.1910009"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.56402"
                           xFract="0.54076066"
                           y3="6.27952"
                           yFract="0.74401896"
                           z3="8.54225"
                           zFract="0.38443969"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27483"
                           xFract="0.50649645"
                           y3="4.2026"
                           yFract="0.49793839"
                           z3="6.45415"
                           zFract="0.2904658"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.28035"
                           xFract="0.27018365"
                           y3="-0.07998"
                           yFract="-0.0094763"
                           z3="8.47219"
                           zFract="0.38128668"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28949"
                           xFract="0.74520024"
                           y3="0.49634"
                           yFract="0.05880806"
                           z3="8.49591"
                           zFract="0.38235419"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27305"
                           xFract="0.98021919"
                           y3="2.03764"
                           yFract="0.24142654"
                           z3="6.22985"
                           zFract="0.28037129"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18262"
                           xFract="0.25860427"
                           y3="8.43223"
                           yFract="0.99907938"
                           z3="6.30931"
                           zFract="0.28394734"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00079"
                           xFract="0.0000936"
                           y3="0.01425"
                           yFract="0.00168839"
                           z3="4.26084"
                           zFract="0.19175698"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32128"
                           xFract="0.98593365"
                           y3="0.17488"
                           yFract="0.02072038"
                           z3="8.3797"
                           zFract="0.37712421"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12312"
                           xFract="0.2515545"
                           y3="2.11999"
                           yFract="0.25118365"
                           z3="4.30986"
                           zFract="0.1939631"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09593"
                           xFract="0.24833294"
                           y3="1.88472"
                           yFract="0.22330806"
                           z3="8.52761"
                           zFract="0.38378083"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42178"
                           xFract="0.52390758"
                           y3="2.10582"
                           yFract="0.24950474"
                           z3="6.36061"
                           zFract="0.28625608"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33168"
                           xFract="0.75019905"
                           y3="8.34208"
                           yFract="0.9883981"
                           z3="6.29789"
                           zFract="0.28343339"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21459"
                           xFract="0.499359"
                           y3="8.31743"
                           yFract="0.98547749"
                           z3="4.20554"
                           zFract="0.18926823"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.41431"
                           xFract="0.52302251"
                           y3="-0.16754"
                           yFract="-0.01985071"
                           z3="8.48507"
                           zFract="0.38186634"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29004"
                           xFract="0.7452654"
                           y3="2.07346"
                           yFract="0.24567062"
                           z3="4.0518"
                           zFract="0.18234923"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.89291"
                           xFract="0.8166955"
                           y3="2.27638"
                           yFract="0.26971327"
                           z3="9.19778"
                           zFract="0.41394149"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40526"
                           xFract="0.99588389"
                           y3="6.51482"
                           yFract="0.7718981"
                           z3="6.34975"
                           zFract="0.28576733"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93707"
                           xFract="0.22951066"
                           y3="4.23518"
                           yFract="0.50179858"
                           z3="6.48455"
                           zFract="0.29183393"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02587"
                           xFract="0.00306517"
                           y3="4.1978"
                           yFract="0.49736967"
                           z3="4.12779"
                           zFract="0.18576913"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.6765"
                           xFract="0.08015403"
                           y3="3.71313"
                           yFract="0.43994431"
                           z3="9.7002"
                           zFract="0.43655266"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20612"
                           xFract="0.26138863"
                           y3="6.31894"
                           yFract="0.74868957"
                           z3="4.28697"
                           zFract="0.19293294"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.91327"
                           xFract="0.22669076"
                           y3="6.42507"
                           yFract="0.76126422"
                           z3="8.4727"
                           zFract="0.38130963"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23816"
                           xFract="0.50215166"
                           y3="6.33237"
                           yFract="0.75028081"
                           z3="6.23355"
                           zFract="0.2805378"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42208"
                           xFract="0.76090995"
                           y3="4.30805"
                           yFract="0.51043246"
                           z3="6.29377"
                           zFract="0.28324797"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18616"
                           xFract="0.49599052"
                           y3="4.35698"
                           yFract="0.51622986"
                           z3="4.29767"
                           zFract="0.19341449"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.09667"
                           xFract="0.48538744"
                           y3="4.35913"
                           yFract="0.5164846"
                           z3="8.53014"
                           zFract="0.38389469"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18664"
                           xFract="0.73301422"
                           y3="6.36845"
                           yFract="0.75455569"
                           z3="4.20966"
                           zFract="0.18945365"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.56193"
                           xFract="0.77747986"
                           y3="6.03228"
                           yFract="0.71472512"
                           z3="8.43741"
                           zFract="0.37972142"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.213">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25941"
                           xFract="0.03073578"
                           y3="3.88495"
                           yFract="0.46030213"
                           z3="10.55643"
                           zFract="0.47508686"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05067"
                           xFract="-0.00600355"
                           y3="6.50625"
                           yFract="0.7708827"
                           z3="8.43715"
                           zFract="0.37970972"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33816"
                           xFract="0.75096682"
                           y3="0.01445"
                           yFract="0.00171209"
                           z3="4.24486"
                           zFract="0.1910378"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2737"
                           xFract="0.03242891"
                           y3="1.96885"
                           yFract="0.23327607"
                           z3="9.01019"
                           zFract="0.4054991"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36042"
                           xFract="0.75360427"
                           y3="6.31974"
                           yFract="0.74878436"
                           z3="6.35323"
                           zFract="0.28592394"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20564"
                           xFract="0.49829858"
                           y3="6.3370"
                           yFract="0.75082938"
                           z3="4.22704"
                           zFract="0.19023582"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41241"
                           xFract="0.99673104"
                           y3="0.08126"
                           yFract="0.00962796"
                           z3="6.36039"
                           zFract="0.28624617"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42055"
                           xFract="0.9976955"
                           y3="2.11254"
                           yFract="0.25030095"
                           z3="4.20102"
                           zFract="0.18906481"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12011"
                           xFract="0.25119787"
                           y3="4.37079"
                           yFract="0.51786611"
                           z3="8.5572"
                           zFract="0.38511251"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08788"
                           xFract="0.24737915"
                           y3="4.20543"
                           yFract="0.4982737"
                           z3="4.27495"
                           zFract="0.19239199"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06671"
                           xFract="0.24487085"
                           y3="6.35568"
                           yFract="0.75304265"
                           z3="6.37506"
                           zFract="0.28690639"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10065"
                           xFract="0.24889218"
                           y3="0.01364"
                           yFract="0.00161611"
                           z3="4.22826"
                           zFract="0.19029073"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27128"
                           xFract="0.50607583"
                           y3="0.00993"
                           yFract="0.00117654"
                           z3="6.32906"
                           zFract="0.28483618"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36271"
                           xFract="0.75387559"
                           y3="2.13888"
                           yFract="0.2534218"
                           z3="6.37902"
                           zFract="0.28708461"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.71445"
                           xFract="0.79555095"
                           y3="4.09061"
                           yFract="0.48466943"
                           z3="8.64979"
                           zFract="0.38927948"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17627"
                           xFract="0.49481872"
                           y3="2.30899"
                           yFract="0.27357701"
                           z3="8.52276"
                           zFract="0.38356256"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42468"
                           xFract="0.99818483"
                           y3="6.31482"
                           yFract="0.74820142"
                           z3="4.25412"
                           zFract="0.19145455"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39441"
                           xFract="0.99459834"
                           y3="4.17546"
                           yFract="0.49472275"
                           z3="6.46274"
                           zFract="0.29085239"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21534"
                           xFract="0.49944787"
                           y3="2.11764"
                           yFract="0.25090521"
                           z3="4.24387"
                           zFract="0.19099325"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03187"
                           xFract="0.24074289"
                           y3="2.0831"
                           yFract="0.2468128"
                           z3="6.44404"
                           zFract="0.2900108"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36598"
                           xFract="0.75426303"
                           y3="4.21235"
                           yFract="0.4990936"
                           z3="4.24383"
                           zFract="0.19099145"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.56569"
                           xFract="0.54095853"
                           y3="6.2789"
                           yFract="0.7439455"
                           z3="8.5431"
                           zFract="0.38447795"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27476"
                           xFract="0.50648815"
                           y3="4.20291"
                           yFract="0.49797512"
                           z3="6.45441"
                           zFract="0.2904775"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.2818"
                           xFract="0.27035545"
                           y3="-0.08045"
                           yFract="-0.00953199"
                           z3="8.47265"
                           zFract="0.38130738"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28903"
                           xFract="0.74514573"
                           y3="0.49735"
                           yFract="0.05892773"
                           z3="8.49643"
                           zFract="0.38237759"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27305"
                           xFract="0.98021919"
                           y3="2.03733"
                           yFract="0.24138981"
                           z3="6.23027"
                           zFract="0.28039019"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18313"
                           xFract="0.25866469"
                           y3="8.43238"
                           yFract="0.99909716"
                           z3="6.30916"
                           zFract="0.28394059"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00086"
                           xFract="0.0001019"
                           y3="0.01458"
                           yFract="0.00172749"
                           z3="4.26069"
                           zFract="0.19175023"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32101"
                           xFract="0.98590166"
                           y3="0.17476"
                           yFract="0.02070616"
                           z3="8.37917"
                           zFract="0.37710036"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12337"
                           xFract="0.25158412"
                           y3="2.12018"
                           yFract="0.25120616"
                           z3="4.31023"
                           zFract="0.19397975"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09672"
                           xFract="0.24842654"
                           y3="1.88341"
                           yFract="0.22315284"
                           z3="8.52737"
                           zFract="0.38377003"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42192"
                           xFract="0.52392417"
                           y3="2.1060"
                           yFract="0.24952607"
                           z3="6.36181"
                           zFract="0.28631008"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33189"
                           xFract="0.75022393"
                           y3="8.34222"
                           yFract="0.98841469"
                           z3="6.2977"
                           zFract="0.28342484"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21471"
                           xFract="0.49937322"
                           y3="8.31752"
                           yFract="0.98548815"
                           z3="4.2055"
                           zFract="0.18926643"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.41494"
                           xFract="0.52309716"
                           y3="-0.16951"
                           yFract="-0.02008412"
                           z3="8.48472"
                           zFract="0.38185059"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28986"
                           xFract="0.74524408"
                           y3="2.07343"
                           yFract="0.24566706"
                           z3="4.05207"
                           zFract="0.18236139"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.89425"
                           xFract="0.81685427"
                           y3="2.27667"
                           yFract="0.26974763"
                           z3="9.19825"
                           zFract="0.41396265"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40543"
                           xFract="0.99590403"
                           y3="6.51503"
                           yFract="0.77192299"
                           z3="6.34887"
                           zFract="0.28572772"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93709"
                           xFract="0.22951303"
                           y3="4.2350"
                           yFract="0.50177725"
                           z3="6.48508"
                           zFract="0.29185779"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02584"
                           xFract="0.00306161"
                           y3="4.19756"
                           yFract="0.49734123"
                           z3="4.12779"
                           zFract="0.18576913"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.67882"
                           xFract="0.08042891"
                           y3="3.71086"
                           yFract="0.43967536"
                           z3="9.70419"
                           zFract="0.43673222"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20592"
                           xFract="0.26136493"
                           y3="6.3189"
                           yFract="0.74868483"
                           z3="4.28696"
                           zFract="0.19293249"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.91223"
                           xFract="0.22656754"
                           y3="6.42557"
                           yFract="0.76132346"
                           z3="8.47277"
                           zFract="0.38131278"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23829"
                           xFract="0.50216706"
                           y3="6.33226"
                           yFract="0.75026777"
                           z3="6.23285"
                           zFract="0.2805063"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42212"
                           xFract="0.76091469"
                           y3="4.30845"
                           yFract="0.51047986"
                           z3="6.29348"
                           zFract="0.28323492"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18614"
                           xFract="0.49598815"
                           y3="4.35688"
                           yFract="0.51621801"
                           z3="4.29783"
                           zFract="0.19342169"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.09585"
                           xFract="0.48529028"
                           y3="4.36017"
                           yFract="0.51660782"
                           z3="8.53049"
                           zFract="0.38391044"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18682"
                           xFract="0.73303555"
                           y3="6.36859"
                           yFract="0.75457227"
                           z3="4.20952"
                           zFract="0.18944734"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.56279"
                           xFract="0.77758175"
                           y3="6.03187"
                           yFract="0.71467654"
                           z3="8.43735"
                           zFract="0.37971872"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.214">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.2588"
                           xFract="0.03066351"
                           y3="3.88291"
                           yFract="0.46006043"
                           z3="10.55735"
                           zFract="0.47512826"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05068"
                           xFract="-0.00600474"
                           y3="6.50708"
                           yFract="0.77098104"
                           z3="8.43681"
                           zFract="0.37969442"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33817"
                           xFract="0.75096801"
                           y3="0.01462"
                           yFract="0.00173223"
                           z3="4.24477"
                           zFract="0.19103375"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.27404"
                           xFract="0.03246919"
                           y3="1.96737"
                           yFract="0.23310071"
                           z3="9.01153"
                           zFract="0.40555941"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36054"
                           xFract="0.75361848"
                           y3="6.32017"
                           yFract="0.74883531"
                           z3="6.35293"
                           zFract="0.28591044"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20534"
                           xFract="0.49826303"
                           y3="6.33655"
                           yFract="0.75077607"
                           z3="4.22644"
                           zFract="0.19020882"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41248"
                           xFract="0.99673934"
                           y3="0.08138"
                           yFract="0.00964218"
                           z3="6.36086"
                           zFract="0.28626733"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4205"
                           xFract="0.99768957"
                           y3="2.11266"
                           yFract="0.25031517"
                           z3="4.20168"
                           zFract="0.18909451"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11906"
                           xFract="0.25107346"
                           y3="4.37362"
                           yFract="0.51820142"
                           z3="8.55816"
                           zFract="0.38515572"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08792"
                           xFract="0.24738389"
                           y3="4.20557"
                           yFract="0.49829028"
                           z3="4.27504"
                           zFract="0.19239604"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06666"
                           xFract="0.24486493"
                           y3="6.3559"
                           yFract="0.75306872"
                           z3="6.37499"
                           zFract="0.28690324"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10084"
                           xFract="0.24891469"
                           y3="0.01386"
                           yFract="0.00164218"
                           z3="4.2285"
                           zFract="0.19030153"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27207"
                           xFract="0.50616943"
                           y3="0.00959"
                           yFract="0.00113626"
                           z3="6.32891"
                           zFract="0.28482943"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3628"
                           xFract="0.75388626"
                           y3="2.13912"
                           yFract="0.25345024"
                           z3="6.37889"
                           zFract="0.28707876"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.7185"
                           xFract="0.79603081"
                           y3="4.09067"
                           yFract="0.48467654"
                           z3="8.64944"
                           zFract="0.38926373"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17496"
                           xFract="0.49466351"
                           y3="2.31247"
                           yFract="0.27398934"
                           z3="8.52229"
                           zFract="0.3835414"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42456"
                           xFract="0.99817062"
                           y3="6.31489"
                           yFract="0.74820972"
                           z3="4.25368"
                           zFract="0.19143474"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39455"
                           xFract="0.99461493"
                           y3="4.1756"
                           yFract="0.49473934"
                           z3="6.4628"
                           zFract="0.29085509"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2152"
                           xFract="0.49943128"
                           y3="2.11777"
                           yFract="0.25092062"
                           z3="4.2447"
                           zFract="0.1910306"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0319"
                           xFract="0.24074645"
                           y3="2.08267"
                           yFract="0.24676185"
                           z3="6.44454"
                           zFract="0.2900333"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36571"
                           xFract="0.75423104"
                           y3="4.21251"
                           yFract="0.49911256"
                           z3="4.24362"
                           zFract="0.190982"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.56846"
                           xFract="0.54128673"
                           y3="6.27796"
                           yFract="0.74383412"
                           z3="8.5445"
                           zFract="0.38454095"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2746"
                           xFract="0.50646919"
                           y3="4.2033"
                           yFract="0.49802133"
                           z3="6.45488"
                           zFract="0.29049865"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.28407"
                           xFract="0.27062441"
                           y3="-0.08156"
                           yFract="-0.00966351"
                           z3="8.47341"
                           zFract="0.38134158"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28841"
                           xFract="0.74507227"
                           y3="0.49934"
                           yFract="0.05916351"
                           z3="8.49697"
                           zFract="0.38240189"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27291"
                           xFract="0.98020261"
                           y3="2.03662"
                           yFract="0.24130569"
                           z3="6.23051"
                           zFract="0.28040099"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18382"
                           xFract="0.25874645"
                           y3="8.43271"
                           yFract="0.99913626"
                           z3="6.30852"
                           zFract="0.28391179"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00153"
                           xFract="0.00018128"
                           y3="0.01513"
                           yFract="0.00179265"
                           z3="4.26021"
                           zFract="0.19172862"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32033"
                           xFract="0.98582109"
                           y3="0.17407"
                           yFract="0.02062441"
                           z3="8.37797"
                           zFract="0.37704635"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12389"
                           xFract="0.25164573"
                           y3="2.12033"
                           yFract="0.25122393"
                           z3="4.31064"
                           zFract="0.1939982"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0994"
                           xFract="0.24874408"
                           y3="1.88138"
                           yFract="0.22291232"
                           z3="8.52662"
                           zFract="0.38373627"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4224"
                           xFract="0.52398104"
                           y3="2.10641"
                           yFract="0.24957464"
                           z3="6.3639"
                           zFract="0.28640414"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33233"
                           xFract="0.75027607"
                           y3="8.34242"
                           yFract="0.98843839"
                           z3="6.29766"
                           zFract="0.28342304"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2148"
                           xFract="0.49938389"
                           y3="8.31779"
                           yFract="0.98552014"
                           z3="4.20531"
                           zFract="0.18925788"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.4162"
                           xFract="0.52324645"
                           y3="-0.17261"
                           yFract="-0.02045142"
                           z3="8.48427"
                           zFract="0.38183033"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28966"
                           xFract="0.74522038"
                           y3="2.07346"
                           yFract="0.24567062"
                           z3="4.05225"
                           zFract="0.18236949"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.89681"
                           xFract="0.81715758"
                           y3="2.27719"
                           yFract="0.26980924"
                           z3="9.19934"
                           zFract="0.4140117"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40597"
                           xFract="0.99596801"
                           y3="6.51551"
                           yFract="0.77197986"
                           z3="6.34762"
                           zFract="0.28567147"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93715"
                           xFract="0.22952014"
                           y3="4.23519"
                           yFract="0.50179976"
                           z3="6.48601"
                           zFract="0.29189964"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02593"
                           xFract="0.00307227"
                           y3="4.19687"
                           yFract="0.49725948"
                           z3="4.12754"
                           zFract="0.18575788"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.68436"
                           xFract="0.08108531"
                           y3="3.7066"
                           yFract="0.43917062"
                           z3="9.70889"
                           zFract="0.43694374"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20571"
                           xFract="0.26134005"
                           y3="6.31909"
                           yFract="0.74870735"
                           z3="4.28714"
                           zFract="0.19294059"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.9104"
                           xFract="0.22635071"
                           y3="6.42615"
                           yFract="0.76139218"
                           z3="8.47287"
                           zFract="0.38131728"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23848"
                           xFract="0.50218957"
                           y3="6.33228"
                           yFract="0.75027014"
                           z3="6.23197"
                           zFract="0.2804667"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42232"
                           xFract="0.76093839"
                           y3="4.30905"
                           yFract="0.51055095"
                           z3="6.29318"
                           zFract="0.28322142"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18608"
                           xFract="0.49598104"
                           y3="4.35691"
                           yFract="0.51622156"
                           z3="4.29795"
                           zFract="0.19342709"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.09429"
                           xFract="0.48510545"
                           y3="4.36133"
                           yFract="0.51674526"
                           z3="8.5312"
                           zFract="0.38394239"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18713"
                           xFract="0.73307227"
                           y3="6.36873"
                           yFract="0.75458886"
                           z3="4.20937"
                           zFract="0.18944059"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.56442"
                           xFract="0.77777488"
                           y3="6.03056"
                           yFract="0.71452133"
                           z3="8.43711"
                           zFract="0.37970792"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.215">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25698"
                           xFract="0.03044787"
                           y3="3.87677"
                           yFract="0.45933294"
                           z3="10.5601"
                           zFract="0.47525203"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05069"
                           xFract="-0.00600592"
                           y3="6.50956"
                           yFract="0.77127488"
                           z3="8.4358"
                           zFract="0.37964896"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33822"
                           xFract="0.75097393"
                           y3="0.01512"
                           yFract="0.00179147"
                           z3="4.2445"
                           zFract="0.1910216"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.27504"
                           xFract="0.03258768"
                           y3="1.96291"
                           yFract="0.23257227"
                           z3="9.01557"
                           zFract="0.40574122"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36091"
                           xFract="0.75366232"
                           y3="6.32147"
                           yFract="0.74898934"
                           z3="6.35204"
                           zFract="0.28587039"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20443"
                           xFract="0.49815521"
                           y3="6.3352"
                           yFract="0.75061611"
                           z3="4.22465"
                           zFract="0.19012826"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41272"
                           xFract="0.99676777"
                           y3="0.08177"
                           yFract="0.00968839"
                           z3="6.36227"
                           zFract="0.28633078"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42035"
                           xFract="0.9976718"
                           y3="2.11302"
                           yFract="0.25035782"
                           z3="4.20367"
                           zFract="0.18918407"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11593"
                           xFract="0.25070261"
                           y3="4.38214"
                           yFract="0.5192109"
                           z3="8.56105"
                           zFract="0.38528578"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08805"
                           xFract="0.24739929"
                           y3="4.20599"
                           yFract="0.49834005"
                           z3="4.27533"
                           zFract="0.19240909"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06652"
                           xFract="0.24484834"
                           y3="6.35658"
                           yFract="0.75314929"
                           z3="6.37477"
                           zFract="0.28689334"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10141"
                           xFract="0.24898223"
                           y3="0.01453"
                           yFract="0.00172156"
                           z3="4.22921"
                           zFract="0.19033348"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27447"
                           xFract="0.50645379"
                           y3="0.00856"
                           yFract="0.00101422"
                           z3="6.32845"
                           zFract="0.28480873"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36308"
                           xFract="0.75391943"
                           y3="2.13985"
                           yFract="0.25353673"
                           z3="6.37851"
                           zFract="0.28706166"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.73066"
                           xFract="0.79747156"
                           y3="4.09087"
                           yFract="0.48470024"
                           z3="8.64841"
                           zFract="0.38921737"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.17102"
                           xFract="0.49419668"
                           y3="2.32289"
                           yFract="0.27522393"
                           z3="8.52087"
                           zFract="0.3834775"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4242"
                           xFract="0.99812796"
                           y3="6.31512"
                           yFract="0.74823697"
                           z3="4.25237"
                           zFract="0.19137579"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39499"
                           xFract="0.99466706"
                           y3="4.17602"
                           yFract="0.4947891"
                           z3="6.46296"
                           zFract="0.29086229"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21478"
                           xFract="0.49938152"
                           y3="2.11818"
                           yFract="0.25096919"
                           z3="4.24716"
                           zFract="0.19114131"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03201"
                           xFract="0.24075948"
                           y3="2.08136"
                           yFract="0.24660664"
                           z3="6.44602"
                           zFract="0.29009991"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3649"
                           xFract="0.75413507"
                           y3="4.21302"
                           yFract="0.49917299"
                           z3="4.24299"
                           zFract="0.19095365"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.57676"
                           xFract="0.54227014"
                           y3="6.27515"
                           yFract="0.74350118"
                           z3="8.54868"
                           zFract="0.38472907"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27413"
                           xFract="0.50641351"
                           y3="4.20447"
                           yFract="0.49815995"
                           z3="6.45631"
                           zFract="0.29056301"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.2909"
                           xFract="0.27143365"
                           y3="-0.0849"
                           yFract="-0.01005924"
                           z3="8.4757"
                           zFract="0.38144464"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28655"
                           xFract="0.7448519"
                           y3="0.50534"
                           yFract="0.05987441"
                           z3="8.4986"
                           zFract="0.38247525"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27248"
                           xFract="0.98015166"
                           y3="2.03449"
                           yFract="0.24105332"
                           z3="6.23122"
                           zFract="0.28043294"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18589"
                           xFract="0.25899171"
                           y3="8.4337"
                           yFract="0.99925355"
                           z3="6.30661"
                           zFract="0.28382583"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00355"
                           xFract="0.00042062"
                           y3="0.01679"
                           yFract="0.00198934"
                           z3="4.25878"
                           zFract="0.19166427"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31831"
                           xFract="0.98558175"
                           y3="0.17201"
                           yFract="0.02038033"
                           z3="8.37438"
                           zFract="0.37688479"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12546"
                           xFract="0.25183175"
                           y3="2.12078"
                           yFract="0.25127725"
                           z3="4.31189"
                           zFract="0.19405446"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10744"
                           xFract="0.24969668"
                           y3="1.87532"
                           yFract="0.22219431"
                           z3="8.52439"
                           zFract="0.38363591"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42385"
                           xFract="0.52415284"
                           y3="2.10765"
                           yFract="0.24972156"
                           z3="6.37015"
                           zFract="0.28668542"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33366"
                           xFract="0.75043365"
                           y3="8.34301"
                           yFract="0.98850829"
                           z3="6.29754"
                           zFract="0.28341764"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21508"
                           xFract="0.49941706"
                           y3="8.31859"
                           yFract="0.98561493"
                           z3="4.20472"
                           zFract="0.18923132"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.4200"
                           xFract="0.52369668"
                           y3="-0.18193"
                           yFract="-0.02155569"
                           z3="8.48294"
                           zFract="0.38177048"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28905"
                           xFract="0.7451481"
                           y3="2.07356"
                           yFract="0.24568246"
                           z3="4.05278"
                           zFract="0.18239334"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.90451"
                           xFract="0.81806991"
                           y3="2.27873"
                           yFract="0.26999171"
                           z3="9.20262"
                           zFract="0.41415932"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40758"
                           xFract="0.99615877"
                           y3="6.51696"
                           yFract="0.77215166"
                           z3="6.34387"
                           zFract="0.2855027"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93732"
                           xFract="0.22954028"
                           y3="4.23574"
                           yFract="0.50186493"
                           z3="6.4888"
                           zFract="0.2920252"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0262"
                           xFract="0.00310427"
                           y3="4.19482"
                           yFract="0.49701659"
                           z3="4.1268"
                           zFract="0.18572457"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.70095"
                           xFract="0.08305095"
                           y3="3.6938"
                           yFract="0.43765403"
                           z3="9.72299"
                           zFract="0.43757831"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20507"
                           xFract="0.26126422"
                           y3="6.31966"
                           yFract="0.74877488"
                           z3="4.28768"
                           zFract="0.1929649"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.90489"
                           xFract="0.22569787"
                           y3="6.42789"
                           yFract="0.76159834"
                           z3="8.47316"
                           zFract="0.38133033"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23904"
                           xFract="0.50225592"
                           y3="6.33233"
                           yFract="0.75027607"
                           z3="6.22933"
                           zFract="0.28034788"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42289"
                           xFract="0.76100592"
                           y3="4.31084"
                           yFract="0.51076303"
                           z3="6.29228"
                           zFract="0.28318092"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18589"
                           xFract="0.49595853"
                           y3="4.3570"
                           yFract="0.51623223"
                           z3="4.29828"
                           zFract="0.19344194"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.08962"
                           xFract="0.48455213"
                           y3="4.36483"
                           yFract="0.51715995"
                           z3="8.53336"
                           zFract="0.3840396"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18805"
                           xFract="0.73318128"
                           y3="6.36915"
                           yFract="0.75463863"
                           z3="4.20892"
                           zFract="0.18942034"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.56931"
                           xFract="0.77835427"
                           y3="6.02662"
                           yFract="0.7140545"
                           z3="8.43641"
                           zFract="0.37967642"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.216">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25332"
                           xFract="0.03001422"
                           y3="3.8645"
                           yFract="0.45787915"
                           z3="10.56562"
                           zFract="0.47550045"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0507"
                           xFract="-0.00600711"
                           y3="6.51451"
                           yFract="0.77186137"
                           z3="8.43377"
                           zFract="0.37955761"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33831"
                           xFract="0.7509846"
                           y3="0.01611"
                           yFract="0.00190877"
                           z3="4.24396"
                           zFract="0.1909973"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.27706"
                           xFract="0.03282701"
                           y3="1.95399"
                           yFract="0.2315154"
                           z3="9.02363"
                           zFract="0.40610396"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36164"
                           xFract="0.75374882"
                           y3="6.32406"
                           yFract="0.74929621"
                           z3="6.35027"
                           zFract="0.28579073"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20261"
                           xFract="0.49793957"
                           y3="6.3325"
                           yFract="0.75029621"
                           z3="4.22106"
                           zFract="0.1899667"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41319"
                           xFract="0.99682346"
                           y3="0.08253"
                           yFract="0.00977844"
                           z3="6.3651"
                           zFract="0.28645815"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42005"
                           xFract="0.99763626"
                           y3="2.11375"
                           yFract="0.25044431"
                           z3="4.20764"
                           zFract="0.18936274"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10965"
                           xFract="0.24995853"
                           y3="4.39917"
                           yFract="0.52122867"
                           z3="8.56682"
                           zFract="0.38554545"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08829"
                           xFract="0.24742773"
                           y3="4.20682"
                           yFract="0.49843839"
                           z3="4.27591"
                           zFract="0.19243519"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06624"
                           xFract="0.24481517"
                           y3="6.35794"
                           yFract="0.75331043"
                           z3="6.37433"
                           zFract="0.28687354"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10255"
                           xFract="0.2491173"
                           y3="0.01586"
                           yFract="0.00187915"
                           z3="4.23063"
                           zFract="0.19039739"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27925"
                           xFract="0.50702014"
                           y3="0.0065"
                           yFract="0.00077014"
                           z3="6.32754"
                           zFract="0.28476778"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36364"
                           xFract="0.75398578"
                           y3="2.14131"
                           yFract="0.25370972"
                           z3="6.37775"
                           zFract="0.28702745"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.75497"
                           xFract="0.8003519"
                           y3="4.09127"
                           yFract="0.48474763"
                           z3="8.64633"
                           zFract="0.38912376"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.16314"
                           xFract="0.49326303"
                           y3="2.34373"
                           yFract="0.27769313"
                           z3="8.51803"
                           zFract="0.38334968"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42348"
                           xFract="0.99804265"
                           y3="6.31557"
                           yFract="0.74829028"
                           z3="4.24976"
                           zFract="0.19125833"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39587"
                           xFract="0.99477133"
                           y3="4.17687"
                           yFract="0.49488981"
                           z3="6.4633"
                           zFract="0.29087759"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21396"
                           xFract="0.49928436"
                           y3="2.11898"
                           yFract="0.25106398"
                           z3="4.25208"
                           zFract="0.19136274"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03222"
                           xFract="0.24078436"
                           y3="2.07876"
                           yFract="0.24629858"
                           z3="6.44898"
                           zFract="0.29023312"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36327"
                           xFract="0.75394194"
                           y3="4.21402"
                           yFract="0.49929147"
                           z3="4.24174"
                           zFract="0.19089739"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.59337"
                           xFract="0.54423815"
                           y3="6.26954"
                           yFract="0.74283649"
                           z3="8.55706"
                           zFract="0.38510621"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27318"
                           xFract="0.50630095"
                           y3="4.20681"
                           yFract="0.4984372"
                           z3="6.45916"
                           zFract="0.29069127"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.30454"
                           xFract="0.27304976"
                           y3="-0.09157"
                           yFract="-0.01084953"
                           z3="8.48028"
                           zFract="0.38165077"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28282"
                           xFract="0.74440995"
                           y3="0.51733"
                           yFract="0.06129502"
                           z3="8.50185"
                           zFract="0.38262151"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27161"
                           xFract="0.98004858"
                           y3="2.03023"
                           yFract="0.24054858"
                           z3="6.23264"
                           zFract="0.28049685"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19003"
                           xFract="0.25948223"
                           y3="8.43568"
                           yFract="0.99948815"
                           z3="6.30278"
                           zFract="0.28365347"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00759"
                           xFract="0.00089929"
                           y3="0.02011"
                           yFract="0.0023827"
                           z3="4.25592"
                           zFract="0.19153555"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31427"
                           xFract="0.98510308"
                           y3="0.16789"
                           yFract="0.01989218"
                           z3="8.3672"
                           zFract="0.37656166"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12859"
                           xFract="0.25220261"
                           y3="2.12168"
                           yFract="0.25138389"
                           z3="4.31438"
                           zFract="0.19416652"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12351"
                           xFract="0.25160071"
                           y3="1.86319"
                           yFract="0.22075711"
                           z3="8.51992"
                           zFract="0.38343474"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42676"
                           xFract="0.52449763"
                           y3="2.11013"
                           yFract="0.2500154"
                           z3="6.38267"
                           zFract="0.28724887"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33632"
                           xFract="0.75074882"
                           y3="8.34421"
                           yFract="0.98865047"
                           z3="6.2973"
                           zFract="0.28340684"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21563"
                           xFract="0.49948223"
                           y3="8.32021"
                           yFract="0.98580687"
                           z3="4.20354"
                           zFract="0.18917822"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.42759"
                           xFract="0.52459597"
                           y3="-0.20055"
                           yFract="-0.02376185"
                           z3="8.48026"
                           zFract="0.38164986"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28783"
                           xFract="0.74500355"
                           y3="2.07376"
                           yFract="0.24570616"
                           z3="4.05384"
                           zFract="0.18244104"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.91989"
                           xFract="0.81989218"
                           y3="2.28181"
                           yFract="0.27035664"
                           z3="9.20916"
                           zFract="0.41445365"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41081"
                           xFract="0.99654147"
                           y3="6.51987"
                           yFract="0.77249645"
                           z3="6.33637"
                           zFract="0.28516517"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93765"
                           xFract="0.22957938"
                           y3="4.23684"
                           yFract="0.50199526"
                           z3="6.49439"
                           zFract="0.29227678"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02674"
                           xFract="0.00316825"
                           y3="4.19071"
                           yFract="0.49652962"
                           z3="4.12531"
                           zFract="0.18565752"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.73414"
                           xFract="0.08698341"
                           y3="3.66821"
                           yFract="0.43462204"
                           z3="9.75119"
                           zFract="0.43884743"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20379"
                           xFract="0.26111256"
                           y3="6.32081"
                           yFract="0.74891114"
                           z3="4.28876"
                           zFract="0.1930135"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89387"
                           xFract="0.22439218"
                           y3="6.43138"
                           yFract="0.76201185"
                           z3="8.47374"
                           zFract="0.38135644"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24015"
                           xFract="0.50238744"
                           y3="6.33243"
                           yFract="0.75028791"
                           z3="6.22405"
                           zFract="0.28011026"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42404"
                           xFract="0.76114218"
                           y3="4.31442"
                           yFract="0.5111872"
                           z3="6.29048"
                           zFract="0.28309991"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18553"
                           xFract="0.49591588"
                           y3="4.35718"
                           yFract="0.51625355"
                           z3="4.29896"
                           zFract="0.19347255"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.08028"
                           xFract="0.4834455"
                           y3="4.37182"
                           yFract="0.51798815"
                           z3="8.53768"
                           zFract="0.38423402"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18988"
                           xFract="0.7333981"
                           y3="6.36999"
                           yFract="0.75473815"
                           z3="4.20802"
                           zFract="0.18937984"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5791"
                           xFract="0.77951422"
                           y3="6.01875"
                           yFract="0.71312204"
                           z3="8.43501"
                           zFract="0.37961341"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.217">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25539"
                           xFract="0.03025948"
                           y3="3.87144"
                           yFract="0.45870142"
                           z3="10.5625"
                           zFract="0.47536004"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05069"
                           xFract="-0.00600592"
                           y3="6.51171"
                           yFract="0.77152962"
                           z3="8.43492"
                           zFract="0.37960936"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33826"
                           xFract="0.75097867"
                           y3="0.01555"
                           yFract="0.00184242"
                           z3="4.24427"
                           zFract="0.19101125"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.27592"
                           xFract="0.03269194"
                           y3="1.95903"
                           yFract="0.23211256"
                           z3="9.01907"
                           zFract="0.40589874"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36123"
                           xFract="0.75370024"
                           y3="6.3226"
                           yFract="0.74912322"
                           z3="6.35127"
                           zFract="0.28583573"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20364"
                           xFract="0.49806161"
                           y3="6.33403"
                           yFract="0.75047749"
                           z3="4.22309"
                           zFract="0.19005806"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41292"
                           xFract="0.99679147"
                           y3="0.0821"
                           yFract="0.00972749"
                           z3="6.3635"
                           zFract="0.28638614"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42022"
                           xFract="0.9976564"
                           y3="2.11334"
                           yFract="0.25039573"
                           z3="4.20539"
                           zFract="0.18926148"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1132"
                           xFract="0.25037915"
                           y3="4.38954"
                           yFract="0.52008768"
                           z3="8.56355"
                           zFract="0.38539829"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08815"
                           xFract="0.24741114"
                           y3="4.20635"
                           yFract="0.4983827"
                           z3="4.27558"
                           zFract="0.19242034"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0664"
                           xFract="0.24483412"
                           y3="6.35717"
                           yFract="0.75321919"
                           z3="6.37458"
                           zFract="0.28688479"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1019"
                           xFract="0.24904028"
                           y3="0.01511"
                           yFract="0.00179028"
                           z3="4.22982"
                           zFract="0.19036094"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27655"
                           xFract="0.50670024"
                           y3="0.00766"
                           yFract="0.00090758"
                           z3="6.32806"
                           zFract="0.28479118"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36333"
                           xFract="0.75394905"
                           y3="2.14049"
                           yFract="0.25361256"
                           z3="6.37818"
                           zFract="0.2870468"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.74122"
                           xFract="0.79872275"
                           y3="4.09104"
                           yFract="0.48472038"
                           z3="8.6475"
                           zFract="0.38917642"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1676"
                           xFract="0.49379147"
                           y3="2.33194"
                           yFract="0.27629621"
                           z3="8.51964"
                           zFract="0.38342214"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42389"
                           xFract="0.99809123"
                           y3="6.31532"
                           yFract="0.74826066"
                           z3="4.25124"
                           zFract="0.19132493"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39537"
                           xFract="0.99471209"
                           y3="4.17639"
                           yFract="0.49483294"
                           z3="6.46311"
                           zFract="0.29086904"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21442"
                           xFract="0.49933886"
                           y3="2.11853"
                           yFract="0.25101066"
                           z3="4.24929"
                           zFract="0.19123717"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0321"
                           xFract="0.24077014"
                           y3="2.08023"
                           yFract="0.24647275"
                           z3="6.4473"
                           zFract="0.29015752"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36419"
                           xFract="0.75405095"
                           y3="4.21345"
                           yFract="0.49922393"
                           z3="4.24245"
                           zFract="0.19092934"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.58397"
                           xFract="0.54312441"
                           y3="6.27271"
                           yFract="0.74321209"
                           z3="8.55232"
                           zFract="0.38489289"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27372"
                           xFract="0.50636493"
                           y3="4.20549"
                           yFract="0.49828081"
                           z3="6.45754"
                           zFract="0.29061836"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.29682"
                           xFract="0.27213507"
                           y3="-0.08779"
                           yFract="-0.01040166"
                           z3="8.47769"
                           zFract="0.3815342"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28493"
                           xFract="0.74465995"
                           y3="0.51054"
                           yFract="0.06049052"
                           z3="8.50001"
                           zFract="0.3825387"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2721"
                           xFract="0.98010664"
                           y3="2.03264"
                           yFract="0.24083412"
                           z3="6.23184"
                           zFract="0.28046085"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18769"
                           xFract="0.25920498"
                           y3="8.43456"
                           yFract="0.99935545"
                           z3="6.30495"
                           zFract="0.28375113"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0053"
                           xFract="0.00062796"
                           y3="0.01823"
                           yFract="0.00215995"
                           z3="4.25754"
                           zFract="0.19160846"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31656"
                           xFract="0.98537441"
                           y3="0.17022"
                           yFract="0.02016825"
                           z3="8.37126"
                           zFract="0.37674437"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12682"
                           xFract="0.25199289"
                           y3="2.12117"
                           yFract="0.25132346"
                           z3="4.31297"
                           zFract="0.19410306"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11442"
                           xFract="0.2505237"
                           y3="1.87005"
                           yFract="0.22156991"
                           z3="8.52245"
                           zFract="0.3835486"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42511"
                           xFract="0.52430213"
                           y3="2.10873"
                           yFract="0.24984953"
                           z3="6.37559"
                           zFract="0.28693024"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33481"
                           xFract="0.75056991"
                           y3="8.34353"
                           yFract="0.98856991"
                           z3="6.29744"
                           zFract="0.28341314"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21532"
                           xFract="0.4994455"
                           y3="8.3193"
                           yFract="0.98569905"
                           z3="4.20421"
                           zFract="0.18920837"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.42329"
                           xFract="0.52408649"
                           y3="-0.19002"
                           yFract="-0.02251422"
                           z3="8.48177"
                           zFract="0.38171782"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28852"
                           xFract="0.74508531"
                           y3="2.07365"
                           yFract="0.24569313"
                           z3="4.05324"
                           zFract="0.18241404"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.91119"
                           xFract="0.81886137"
                           y3="2.28006"
                           yFract="0.27014929"
                           z3="9.20546"
                           zFract="0.41428713"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40898"
                           xFract="0.99632464"
                           y3="6.51822"
                           yFract="0.77230095"
                           z3="6.34061"
                           zFract="0.28535599"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93746"
                           xFract="0.22955687"
                           y3="4.23622"
                           yFract="0.5019218"
                           z3="6.49123"
                           zFract="0.29213456"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02644"
                           xFract="0.0031327"
                           y3="4.19304"
                           yFract="0.49680569"
                           z3="4.12615"
                           zFract="0.18569532"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.71536"
                           xFract="0.08475829"
                           y3="3.68269"
                           yFract="0.43633768"
                           z3="9.73524"
                           zFract="0.43812961"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20451"
                           xFract="0.26119787"
                           y3="6.32016"
                           yFract="0.74883412"
                           z3="4.28815"
                           zFract="0.19298605"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.90011"
                           xFract="0.22513152"
                           y3="6.42941"
                           yFract="0.76177844"
                           z3="8.47341"
                           zFract="0.38134158"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23952"
                           xFract="0.5023128"
                           y3="6.33237"
                           yFract="0.75028081"
                           z3="6.22704"
                           zFract="0.28024482"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42339"
                           xFract="0.76106517"
                           y3="4.3124"
                           yFract="0.51094787"
                           z3="6.2915"
                           zFract="0.28314581"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18574"
                           xFract="0.49594076"
                           y3="4.35708"
                           yFract="0.51624171"
                           z3="4.29858"
                           zFract="0.19345545"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.08556"
                           xFract="0.48407109"
                           y3="4.36787"
                           yFract="0.51752014"
                           z3="8.53524"
                           zFract="0.38412421"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18884"
                           xFract="0.73327488"
                           y3="6.36952"
                           yFract="0.75468246"
                           z3="4.20853"
                           zFract="0.18940279"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.57356"
                           xFract="0.77885782"
                           y3="6.0232"
                           yFract="0.71364929"
                           z3="8.43581"
                           zFract="0.37964941"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.218">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25147"
                           xFract="0.02979502"
                           y3="3.86985"
                           yFract="0.45851303"
                           z3="10.56756"
                           zFract="0.47558776"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05101"
                           xFract="-0.00604384"
                           y3="6.51307"
                           yFract="0.77169076"
                           z3="8.43434"
                           zFract="0.37958326"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33829"
                           xFract="0.75098223"
                           y3="0.01582"
                           yFract="0.00187441"
                           z3="4.2442"
                           zFract="0.1910081"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.28154"
                           xFract="0.03335782"
                           y3="1.95693"
                           yFract="0.23186374"
                           z3="9.02095"
                           zFract="0.40598335"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36149"
                           xFract="0.75373104"
                           y3="6.32258"
                           yFract="0.74912085"
                           z3="6.35051"
                           zFract="0.28580153"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20389"
                           xFract="0.49809123"
                           y3="6.33354"
                           yFract="0.75041943"
                           z3="4.22242"
                           zFract="0.1900279"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4134"
                           xFract="0.99684834"
                           y3="0.08229"
                           yFract="0.00975"
                           z3="6.36347"
                           zFract="0.28638479"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41998"
                           xFract="0.99762796"
                           y3="2.11341"
                           yFract="0.25040403"
                           z3="4.20644"
                           zFract="0.18930873"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1106"
                           xFract="0.25007109"
                           y3="4.39335"
                           yFract="0.5205391"
                           z3="8.56581"
                           zFract="0.3855"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08824"
                           xFract="0.2474218"
                           y3="4.20675"
                           yFract="0.49843009"
                           z3="4.27631"
                           zFract="0.1924532"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06652"
                           xFract="0.24484834"
                           y3="6.35706"
                           yFract="0.75320616"
                           z3="6.37454"
                           zFract="0.28688299"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10225"
                           xFract="0.24908175"
                           y3="0.01524"
                           yFract="0.00180569"
                           z3="4.23054"
                           zFract="0.19039334"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27737"
                           xFract="0.50679739"
                           y3="0.00735"
                           yFract="0.00087085"
                           z3="6.32796"
                           zFract="0.28478668"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36363"
                           xFract="0.7539846"
                           y3="2.14048"
                           yFract="0.25361137"
                           z3="6.37836"
                           zFract="0.28705491"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.74765"
                           xFract="0.7994846"
                           y3="4.09049"
                           yFract="0.48465521"
                           z3="8.64696"
                           zFract="0.38915212"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.16461"
                           xFract="0.4934372"
                           y3="2.33715"
                           yFract="0.27691351"
                           z3="8.5185"
                           zFract="0.38337084"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42416"
                           xFract="0.99812322"
                           y3="6.31534"
                           yFract="0.74826303"
                           z3="4.25045"
                           zFract="0.19128938"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39564"
                           xFract="0.99474408"
                           y3="4.17649"
                           yFract="0.49484479"
                           z3="6.46337"
                           zFract="0.29088074"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21387"
                           xFract="0.4992737"
                           y3="2.1187"
                           yFract="0.25103081"
                           z3="4.25007"
                           zFract="0.19127228"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03229"
                           xFract="0.24079265"
                           y3="2.07969"
                           yFract="0.24640877"
                           z3="6.44787"
                           zFract="0.29018317"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36363"
                           xFract="0.7539846"
                           y3="4.21361"
                           yFract="0.49924289"
                           z3="4.24268"
                           zFract="0.19093969"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.5883"
                           xFract="0.54363744"
                           y3="6.27067"
                           yFract="0.74297038"
                           z3="8.55444"
                           zFract="0.3849883"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27347"
                           xFract="0.50633531"
                           y3="4.20638"
                           yFract="0.49838626"
                           z3="6.45834"
                           zFract="0.29065437"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.30047"
                           xFract="0.27256754"
                           y3="-0.08979"
                           yFract="-0.01063863"
                           z3="8.47853"
                           zFract="0.38157201"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28363"
                           xFract="0.74450592"
                           y3="0.51424"
                           yFract="0.06092891"
                           z3="8.49995"
                           zFract="0.382536"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27167"
                           xFract="0.98005569"
                           y3="2.03182"
                           yFract="0.24073697"
                           z3="6.23155"
                           zFract="0.28044779"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18849"
                           xFract="0.25929976"
                           y3="8.43473"
                           yFract="0.99937559"
                           z3="6.30407"
                           zFract="0.28371152"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00662"
                           xFract="0.00078436"
                           y3="0.01893"
                           yFract="0.00224289"
                           z3="4.25685"
                           zFract="0.19157741"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31452"
                           xFract="0.9851327"
                           y3="0.1695"
                           yFract="0.02008294"
                           z3="8.37019"
                           zFract="0.37669622"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12758"
                           xFract="0.25208294"
                           y3="2.1213"
                           yFract="0.25133886"
                           z3="4.31347"
                           zFract="0.19412556"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11727"
                           xFract="0.25086137"
                           y3="1.86706"
                           yFract="0.22121564"
                           z3="8.52172"
                           zFract="0.38351575"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42666"
                           xFract="0.52448578"
                           y3="2.10919"
                           yFract="0.24990403"
                           z3="6.3784"
                           zFract="0.28705671"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33535"
                           xFract="0.75063389"
                           y3="8.34359"
                           yFract="0.98857701"
                           z3="6.29745"
                           zFract="0.28341359"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21542"
                           xFract="0.49945735"
                           y3="8.31946"
                           yFract="0.98571801"
                           z3="4.20361"
                           zFract="0.18918137"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.42612"
                           xFract="0.5244218"
                           y3="-0.19377"
                           yFract="-0.02295853"
                           z3="8.48189"
                           zFract="0.38172322"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28817"
                           xFract="0.74504384"
                           y3="2.07395"
                           yFract="0.24572867"
                           z3="4.05289"
                           zFract="0.18239829"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.91318"
                           xFract="0.81909716"
                           y3="2.28132"
                           yFract="0.27029858"
                           z3="9.20819"
                           zFract="0.41440999"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4096"
                           xFract="0.9963981"
                           y3="6.51939"
                           yFract="0.77243957"
                           z3="6.33945"
                           zFract="0.28530378"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9375"
                           xFract="0.22956161"
                           y3="4.23728"
                           yFract="0.50204739"
                           z3="6.49233"
                           zFract="0.29218407"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02684"
                           xFract="0.00318009"
                           y3="4.1920"
                           yFract="0.49668246"
                           z3="4.12593"
                           zFract="0.18568542"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.7277"
                           xFract="0.08622038"
                           y3="3.67384"
                           yFract="0.4352891"
                           z3="9.73878"
                           zFract="0.43828893"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20428"
                           xFract="0.26117062"
                           y3="6.32041"
                           yFract="0.74886374"
                           z3="4.28828"
                           zFract="0.1929919"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89809"
                           xFract="0.22489218"
                           y3="6.43044"
                           yFract="0.76190047"
                           z3="8.47363"
                           zFract="0.38135149"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23987"
                           xFract="0.50235427"
                           y3="6.33242"
                           yFract="0.75028673"
                           z3="6.22598"
                           zFract="0.28019712"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42362"
                           xFract="0.76109242"
                           y3="4.31285"
                           yFract="0.51100118"
                           z3="6.29123"
                           zFract="0.28313366"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18541"
                           xFract="0.49590166"
                           y3="4.35699"
                           yFract="0.51623104"
                           z3="4.29818"
                           zFract="0.19343744"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.08356"
                           xFract="0.48383412"
                           y3="4.37035"
                           yFract="0.51781398"
                           z3="8.53673"
                           zFract="0.38419127"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18896"
                           xFract="0.7332891"
                           y3="6.36952"
                           yFract="0.75468246"
                           z3="4.20817"
                           zFract="0.18938659"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.57609"
                           xFract="0.77915758"
                           y3="6.02014"
                           yFract="0.71328673"
                           z3="8.43512"
                           zFract="0.37961836"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.219">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.2525"
                           xFract="0.02991706"
                           y3="3.87027"
                           yFract="0.4585628"
                           z3="10.56624"
                           zFract="0.47552835"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05093"
                           xFract="-0.00603436"
                           y3="6.51272"
                           yFract="0.77164929"
                           z3="8.43449"
                           zFract="0.37959001"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33828"
                           xFract="0.75098104"
                           y3="0.01575"
                           yFract="0.00186611"
                           z3="4.24422"
                           zFract="0.191009"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.28007"
                           xFract="0.03318365"
                           y3="1.95748"
                           yFract="0.23192891"
                           z3="9.02046"
                           zFract="0.4059613"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36142"
                           xFract="0.75372275"
                           y3="6.32259"
                           yFract="0.74912204"
                           z3="6.35071"
                           zFract="0.28581053"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20382"
                           xFract="0.49808294"
                           y3="6.33367"
                           yFract="0.75043483"
                           z3="4.22259"
                           zFract="0.19003555"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41328"
                           xFract="0.99683412"
                           y3="0.08224"
                           yFract="0.00974408"
                           z3="6.36348"
                           zFract="0.28638524"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42004"
                           xFract="0.99763507"
                           y3="2.11339"
                           yFract="0.25040166"
                           z3="4.20617"
                           zFract="0.18929658"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.11128"
                           xFract="0.25015166"
                           y3="4.39236"
                           yFract="0.5204218"
                           z3="8.56522"
                           zFract="0.38547345"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08822"
                           xFract="0.24741943"
                           y3="4.20664"
                           yFract="0.49841706"
                           z3="4.27612"
                           zFract="0.19244464"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06649"
                           xFract="0.24484479"
                           y3="6.35709"
                           yFract="0.75320972"
                           z3="6.37455"
                           zFract="0.28688344"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10216"
                           xFract="0.24907109"
                           y3="0.0152"
                           yFract="0.00180095"
                           z3="4.23035"
                           zFract="0.19038479"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27716"
                           xFract="0.50677251"
                           y3="0.00743"
                           yFract="0.00088033"
                           z3="6.32799"
                           zFract="0.28478803"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36355"
                           xFract="0.75397512"
                           y3="2.14048"
                           yFract="0.25361137"
                           z3="6.37831"
                           zFract="0.28705266"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.74597"
                           xFract="0.79928555"
                           y3="4.09063"
                           yFract="0.4846718"
                           z3="8.6471"
                           zFract="0.38915842"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.16539"
                           xFract="0.49352962"
                           y3="2.33579"
                           yFract="0.27675237"
                           z3="8.5188"
                           zFract="0.38338434"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42409"
                           xFract="0.99811493"
                           y3="6.31534"
                           yFract="0.74826303"
                           z3="4.25066"
                           zFract="0.19129883"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39557"
                           xFract="0.99473578"
                           y3="4.17646"
                           yFract="0.49484123"
                           z3="6.4633"
                           zFract="0.29087759"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21402"
                           xFract="0.49929147"
                           y3="2.11866"
                           yFract="0.25102607"
                           z3="4.24986"
                           zFract="0.19126283"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03224"
                           xFract="0.24078673"
                           y3="2.07983"
                           yFract="0.24642536"
                           z3="6.44772"
                           zFract="0.29017642"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36377"
                           xFract="0.75400118"
                           y3="4.21357"
                           yFract="0.49923815"
                           z3="4.24262"
                           zFract="0.19093699"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.58717"
                           xFract="0.54350355"
                           y3="6.2712"
                           yFract="0.74303318"
                           z3="8.55389"
                           zFract="0.38496355"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27353"
                           xFract="0.50634242"
                           y3="4.20615"
                           yFract="0.498359"
                           z3="6.45814"
                           zFract="0.29064536"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.29952"
                           xFract="0.27245498"
                           y3="-0.08927"
                           yFract="-0.01057701"
                           z3="8.47831"
                           zFract="0.38156211"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28397"
                           xFract="0.74454621"
                           y3="0.51327"
                           yFract="0.06081398"
                           z3="8.49997"
                           zFract="0.3825369"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27179"
                           xFract="0.98006991"
                           y3="2.03204"
                           yFract="0.24076303"
                           z3="6.23162"
                           zFract="0.28045095"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18828"
                           xFract="0.25927488"
                           y3="8.43469"
                           yFract="0.99937085"
                           z3="6.3043"
                           zFract="0.28372187"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00627"
                           xFract="0.00074289"
                           y3="0.01875"
                           yFract="0.00222156"
                           z3="4.25703"
                           zFract="0.19158551"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31505"
                           xFract="0.9851955"
                           y3="0.16969"
                           yFract="0.02010545"
                           z3="8.37047"
                           zFract="0.37670882"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12738"
                           xFract="0.25205924"
                           y3="2.12127"
                           yFract="0.25133531"
                           z3="4.31334"
                           zFract="0.19411971"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11652"
                           xFract="0.25077251"
                           y3="1.86784"
                           yFract="0.22130806"
                           z3="8.52191"
                           zFract="0.3835243"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42626"
                           xFract="0.52443839"
                           y3="2.10907"
                           yFract="0.24988981"
                           z3="6.37766"
                           zFract="0.2870234"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33521"
                           xFract="0.7506173"
                           y3="8.34357"
                           yFract="0.98857464"
                           z3="6.29744"
                           zFract="0.28341314"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21539"
                           xFract="0.49945379"
                           y3="8.31942"
                           yFract="0.98571327"
                           z3="4.20377"
                           zFract="0.18918857"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.42538"
                           xFract="0.52433412"
                           y3="-0.19279"
                           yFract="-0.02284242"
                           z3="8.48186"
                           zFract="0.38172187"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28826"
                           xFract="0.7450545"
                           y3="2.07387"
                           yFract="0.24571919"
                           z3="4.05298"
                           zFract="0.18240234"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.91266"
                           xFract="0.81903555"
                           y3="2.28099"
                           yFract="0.27025948"
                           z3="9.20748"
                           zFract="0.41437804"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40944"
                           xFract="0.99637915"
                           y3="6.51909"
                           yFract="0.77240403"
                           z3="6.33975"
                           zFract="0.28531728"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93749"
                           xFract="0.22956043"
                           y3="4.2370"
                           yFract="0.50201422"
                           z3="6.49204"
                           zFract="0.29217102"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02674"
                           xFract="0.00316825"
                           y3="4.19227"
                           yFract="0.49671445"
                           z3="4.12598"
                           zFract="0.18568767"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.72448"
                           xFract="0.08583886"
                           y3="3.67615"
                           yFract="0.4355628"
                           z3="9.73785"
                           zFract="0.43824707"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20434"
                           xFract="0.26117773"
                           y3="6.32035"
                           yFract="0.74885664"
                           z3="4.28825"
                           zFract="0.19299055"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89862"
                           xFract="0.22495498"
                           y3="6.43017"
                           yFract="0.76186848"
                           z3="8.47357"
                           zFract="0.38134878"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23978"
                           xFract="0.5023436"
                           y3="6.33241"
                           yFract="0.75028555"
                           z3="6.22626"
                           zFract="0.28020972"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42356"
                           xFract="0.76108531"
                           y3="4.31273"
                           yFract="0.51098697"
                           z3="6.2913"
                           zFract="0.28313681"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18549"
                           xFract="0.49591114"
                           y3="4.35702"
                           yFract="0.5162346"
                           z3="4.29828"
                           zFract="0.19344194"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.08408"
                           xFract="0.48389573"
                           y3="4.3697"
                           yFract="0.51773697"
                           z3="8.53634"
                           zFract="0.38417372"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18893"
                           xFract="0.73328555"
                           y3="6.36952"
                           yFract="0.75468246"
                           z3="4.20826"
                           zFract="0.18939064"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.57543"
                           xFract="0.77907938"
                           y3="6.02094"
                           yFract="0.71338152"
                           z3="8.4353"
                           zFract="0.37962646"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.220">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.25091"
                           xFract="0.02972867"
                           y3="3.86882"
                           yFract="0.458391"
                           z3="10.5659"
                           zFract="0.47551305"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0515"
                           xFract="-0.0061019"
                           y3="6.51388"
                           yFract="0.77178673"
                           z3="8.43394"
                           zFract="0.37956526"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33838"
                           xFract="0.75099289"
                           y3="0.01599"
                           yFract="0.00189455"
                           z3="4.24424"
                           zFract="0.1910099"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.28812"
                           xFract="0.03413744"
                           y3="1.95566"
                           yFract="0.23171327"
                           z3="9.02148"
                           zFract="0.4060072"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36174"
                           xFract="0.75376066"
                           y3="6.32191"
                           yFract="0.74904147"
                           z3="6.34985"
                           zFract="0.28577183"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20457"
                           xFract="0.4981718"
                           y3="6.33365"
                           yFract="0.75043246"
                           z3="4.22241"
                           zFract="0.19002745"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41394"
                           xFract="0.99691232"
                           y3="0.08235"
                           yFract="0.00975711"
                           z3="6.36268"
                           zFract="0.28634923"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41977"
                           xFract="0.99760308"
                           y3="2.11336"
                           yFract="0.2503981"
                           z3="4.20678"
                           zFract="0.18932403"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10903"
                           xFract="0.24988507"
                           y3="4.39498"
                           yFract="0.52073223"
                           z3="8.56721"
                           zFract="0.38556301"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08826"
                           xFract="0.24742417"
                           y3="4.20704"
                           yFract="0.49846445"
                           z3="4.27718"
                           zFract="0.19249235"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06679"
                           xFract="0.24488033"
                           y3="6.35663"
                           yFract="0.75315521"
                           z3="6.37459"
                           zFract="0.28688524"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10248"
                           xFract="0.249109"
                           y3="0.0151"
                           yFract="0.0017891"
                           z3="4.23109"
                           zFract="0.19041809"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2774"
                           xFract="0.50680095"
                           y3="0.00738"
                           yFract="0.00087441"
                           z3="6.32808"
                           zFract="0.28479208"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36403"
                           xFract="0.75403199"
                           y3="2.14015"
                           yFract="0.25357227"
                           z3="6.37883"
                           zFract="0.28707606"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.75105"
                           xFract="0.79988744"
                           y3="4.08948"
                           yFract="0.48453555"
                           z3="8.64678"
                           zFract="0.38914401"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.16229"
                           xFract="0.49316232"
                           y3="2.33958"
                           yFract="0.27720142"
                           z3="8.51763"
                           zFract="0.38333168"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42473"
                           xFract="0.99819076"
                           y3="6.31525"
                           yFract="0.74825237"
                           z3="4.2500"
                           zFract="0.19126913"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39581"
                           xFract="0.99476422"
                           y3="4.1764"
                           yFract="0.49483412"
                           z3="6.46369"
                           zFract="0.29089514"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21333"
                           xFract="0.49920972"
                           y3="2.11876"
                           yFract="0.25103791"
                           z3="4.25001"
                           zFract="0.19126958"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0325"
                           xFract="0.24081754"
                           y3="2.07958"
                           yFract="0.24639573"
                           z3="6.44795"
                           zFract="0.29018677"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36331"
                           xFract="0.75394668"
                           y3="4.21357"
                           yFract="0.49923815"
                           z3="4.24329"
                           zFract="0.19096715"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.59057"
                           xFract="0.5439064"
                           y3="6.26925"
                           yFract="0.74280213"
                           z3="8.55552"
                           zFract="0.3850369"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27335"
                           xFract="0.50632109"
                           y3="4.20712"
                           yFract="0.49847393"
                           z3="6.45883"
                           zFract="0.29067642"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.30258"
                           xFract="0.27281754"
                           y3="-0.09102"
                           yFract="-0.01078436"
                           z3="8.47863"
                           zFract="0.38157651"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2828"
                           xFract="0.74440758"
                           y3="0.51686"
                           yFract="0.06123934"
                           z3="8.49919"
                           zFract="0.3825018"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27138"
                           xFract="0.98002133"
                           y3="2.03175"
                           yFract="0.24072867"
                           z3="6.23089"
                           zFract="0.28041809"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18865"
                           xFract="0.25931872"
                           y3="8.43442"
                           yFract="0.99933886"
                           z3="6.30399"
                           zFract="0.28370792"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00728"
                           xFract="0.00086256"
                           y3="0.0191"
                           yFract="0.00226303"
                           z3="4.25665"
                           zFract="0.19156841"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31279"
                           xFract="0.98492773"
                           y3="0.16969"
                           yFract="0.02010545"
                           z3="8.3705"
                           zFract="0.37671017"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12781"
                           xFract="0.25211019"
                           y3="2.12136"
                           yFract="0.25134597"
                           z3="4.31362"
                           zFract="0.19413231"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11749"
                           xFract="0.25088744"
                           y3="1.86543"
                           yFract="0.22102251"
                           z3="8.52176"
                           zFract="0.38351755"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.42804"
                           xFract="0.52464929"
                           y3="2.10918"
                           yFract="0.24990284"
                           z3="6.37924"
                           zFract="0.28709451"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33541"
                           xFract="0.750641"
                           y3="8.34329"
                           yFract="0.98854147"
                           z3="6.29734"
                           zFract="0.28340864"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21551"
                           xFract="0.49946801"
                           y3="8.31919"
                           yFract="0.98568602"
                           z3="4.20315"
                           zFract="0.18916067"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.42818"
                           xFract="0.52466588"
                           y3="-0.1946"
                           yFract="-0.02305687"
                           z3="8.4827"
                           zFract="0.38175968"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2880"
                           xFract="0.7450237"
                           y3="2.07428"
                           yFract="0.24576777"
                           z3="4.05222"
                           zFract="0.18236814"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.91314"
                           xFract="0.81909242"
                           y3="2.28227"
                           yFract="0.27041114"
                           z3="9.21045"
                           zFract="0.4145117"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40956"
                           xFract="0.99639336"
                           y3="6.52033"
                           yFract="0.77255095"
                           z3="6.33968"
                           zFract="0.28531413"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93753"
                           xFract="0.22956517"
                           y3="4.23837"
                           yFract="0.50217654"
                           z3="6.49248"
                           zFract="0.29219082"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02726"
                           xFract="0.00322986"
                           y3="4.19168"
                           yFract="0.49664455"
                           z3="4.12604"
                           zFract="0.18569037"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.73248"
                           xFract="0.08678673"
                           y3="3.66931"
                           yFract="0.43475237"
                           z3="9.74545"
                           zFract="0.43858911"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20441"
                           xFract="0.26118602"
                           y3="6.32038"
                           yFract="0.74886019"
                           z3="4.28811"
                           zFract="0.19298425"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89802"
                           xFract="0.22488389"
                           y3="6.43113"
                           yFract="0.76198223"
                           z3="8.4738"
                           zFract="0.38135914"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24012"
                           xFract="0.50238389"
                           y3="6.33236"
                           yFract="0.75027962"
                           z3="6.22571"
                           zFract="0.28018497"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42362"
                           xFract="0.76109242"
                           y3="4.31261"
                           yFract="0.51097275"
                           z3="6.29111"
                           zFract="0.28312826"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18506"
                           xFract="0.49586019"
                           y3="4.35687"
                           yFract="0.51621682"
                           z3="4.29748"
                           zFract="0.19340594"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.08289"
                           xFract="0.48375474"
                           y3="4.37217"
                           yFract="0.51802962"
                           z3="8.5377"
                           zFract="0.38423492"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18869"
                           xFract="0.73325711"
                           y3="6.36931"
                           yFract="0.75465758"
                           z3="4.20784"
                           zFract="0.18937174"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.57724"
                           xFract="0.77929384"
                           y3="6.01782"
                           yFract="0.71301185"
                           z3="8.43446"
                           zFract="0.37958866"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.221">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.24884"
                           xFract="0.02948341"
                           y3="3.86693"
                           yFract="0.45816706"
                           z3="10.56546"
                           zFract="0.47549325"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05225"
                           xFract="-0.00619076"
                           y3="6.51541"
                           yFract="0.77196801"
                           z3="8.43323"
                           zFract="0.3795333"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33851"
                           xFract="0.75100829"
                           y3="0.01629"
                           yFract="0.00193009"
                           z3="4.24427"
                           zFract="0.19101125"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.2986"
                           xFract="0.03537915"
                           y3="1.95328"
                           yFract="0.23143128"
                           z3="9.02281"
                           zFract="0.40606706"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36216"
                           xFract="0.75381043"
                           y3="6.32103"
                           yFract="0.7489372"
                           z3="6.34873"
                           zFract="0.28572142"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20556"
                           xFract="0.4982891"
                           y3="6.33362"
                           yFract="0.75042891"
                           z3="4.22218"
                           zFract="0.1900171"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4148"
                           xFract="0.99701422"
                           y3="0.0825"
                           yFract="0.00977488"
                           z3="6.36163"
                           zFract="0.28630198"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41942"
                           xFract="0.99756161"
                           y3="2.11332"
                           yFract="0.25039336"
                           z3="4.20759"
                           zFract="0.18936049"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1061"
                           xFract="0.24953791"
                           y3="4.39841"
                           yFract="0.52113863"
                           z3="8.56979"
                           zFract="0.38567912"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08831"
                           xFract="0.24743009"
                           y3="4.20755"
                           yFract="0.49852488"
                           z3="4.27857"
                           zFract="0.19255491"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06719"
                           xFract="0.24492773"
                           y3="6.35605"
                           yFract="0.75308649"
                           z3="6.37464"
                           zFract="0.28688749"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1029"
                           xFract="0.24915877"
                           y3="0.01497"
                           yFract="0.0017737"
                           z3="4.23205"
                           zFract="0.1904613"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27773"
                           xFract="0.50684005"
                           y3="0.00732"
                           yFract="0.0008673"
                           z3="6.3282"
                           zFract="0.28479748"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36466"
                           xFract="0.75410664"
                           y3="2.13973"
                           yFract="0.25352251"
                           z3="6.3795"
                           zFract="0.28710621"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.75766"
                           xFract="0.80067062"
                           y3="4.08797"
                           yFract="0.48435664"
                           z3="8.64637"
                           zFract="0.38912556"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.15824"
                           xFract="0.49268246"
                           y3="2.34451"
                           yFract="0.27778555"
                           z3="8.51612"
                           zFract="0.38326373"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42557"
                           xFract="0.99829028"
                           y3="6.31515"
                           yFract="0.74824052"
                           z3="4.24915"
                           zFract="0.19123087"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39613"
                           xFract="0.99480213"
                           y3="4.17631"
                           yFract="0.49482346"
                           z3="6.4642"
                           zFract="0.29091809"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21244"
                           xFract="0.49910427"
                           y3="2.1189"
                           yFract="0.2510545"
                           z3="4.25019"
                           zFract="0.19127768"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03284"
                           xFract="0.24085782"
                           y3="2.07925"
                           yFract="0.24635664"
                           z3="6.44825"
                           zFract="0.29020027"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36272"
                           xFract="0.75387678"
                           y3="4.21356"
                           yFract="0.49923697"
                           z3="4.24417"
                           zFract="0.19100675"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.59501"
                           xFract="0.54443246"
                           y3="6.26671"
                           yFract="0.74250118"
                           z3="8.55765"
                           zFract="0.38513276"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2731"
                           xFract="0.50629147"
                           y3="4.20839"
                           yFract="0.49862441"
                           z3="6.45973"
                           zFract="0.29071692"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.30657"
                           xFract="0.27329028"
                           y3="-0.0933"
                           yFract="-0.0110545"
                           z3="8.47904"
                           zFract="0.38159496"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28129"
                           xFract="0.74422867"
                           y3="0.52152"
                           yFract="0.06179147"
                           z3="8.49818"
                           zFract="0.38245635"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27086"
                           xFract="0.97995972"
                           y3="2.03138"
                           yFract="0.24068483"
                           z3="6.22994"
                           zFract="0.28037534"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18913"
                           xFract="0.25937559"
                           y3="8.43408"
                           yFract="0.99929858"
                           z3="6.30358"
                           zFract="0.28368947"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00858"
                           xFract="0.00101659"
                           y3="0.01955"
                           yFract="0.00231635"
                           z3="4.25615"
                           zFract="0.1915459"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30985"
                           xFract="0.98457938"
                           y3="0.16969"
                           yFract="0.02010545"
                           z3="8.37054"
                           zFract="0.37671197"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12838"
                           xFract="0.25217773"
                           y3="2.12148"
                           yFract="0.25136019"
                           z3="4.31398"
                           zFract="0.19414851"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11875"
                           xFract="0.25103673"
                           y3="1.86229"
                           yFract="0.22065047"
                           z3="8.52155"
                           zFract="0.3835081"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43036"
                           xFract="0.52492417"
                           y3="2.10932"
                           yFract="0.24991943"
                           z3="6.38129"
                           zFract="0.28718677"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33567"
                           xFract="0.7506718"
                           y3="8.34291"
                           yFract="0.98849645"
                           z3="6.29721"
                           zFract="0.28340279"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21566"
                           xFract="0.49948578"
                           y3="8.3189"
                           yFract="0.98565166"
                           z3="4.20235"
                           zFract="0.18912466"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.43183"
                           xFract="0.52509834"
                           y3="-0.19697"
                           yFract="-0.02333768"
                           z3="8.48378"
                           zFract="0.38180828"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28766"
                           xFract="0.74498341"
                           y3="2.07482"
                           yFract="0.24583175"
                           z3="4.05123"
                           zFract="0.18232358"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.91375"
                           xFract="0.81916469"
                           y3="2.28393"
                           yFract="0.27060782"
                           z3="9.21433"
                           zFract="0.41468632"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40973"
                           xFract="0.99641351"
                           y3="6.52195"
                           yFract="0.77274289"
                           z3="6.33959"
                           zFract="0.28531008"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93759"
                           xFract="0.22957227"
                           y3="4.24016"
                           yFract="0.50238863"
                           z3="6.49304"
                           zFract="0.29221602"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02793"
                           xFract="0.00330924"
                           y3="4.19091"
                           yFract="0.49655332"
                           z3="4.12612"
                           zFract="0.18569397"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.74292"
                           xFract="0.0880237"
                           y3="3.66039"
                           yFract="0.4336955"
                           z3="9.75536"
                           zFract="0.4390351"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20449"
                           xFract="0.2611955"
                           y3="6.32042"
                           yFract="0.74886493"
                           z3="4.28792"
                           zFract="0.1929757"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89724"
                           xFract="0.22479147"
                           y3="6.43238"
                           yFract="0.76213033"
                           z3="8.47409"
                           zFract="0.38137219"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24057"
                           xFract="0.5024372"
                           y3="6.3323"
                           yFract="0.75027251"
                           z3="6.22499"
                           zFract="0.28015257"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42369"
                           xFract="0.76110071"
                           y3="4.31245"
                           yFract="0.51095379"
                           z3="6.29086"
                           zFract="0.28311701"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1845"
                           xFract="0.49579384"
                           y3="4.35669"
                           yFract="0.5161955"
                           z3="4.29643"
                           zFract="0.19335869"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.08133"
                           xFract="0.48356991"
                           y3="4.3754"
                           yFract="0.51841232"
                           z3="8.53948"
                           zFract="0.38431503"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18837"
                           xFract="0.73321919"
                           y3="6.36902"
                           yFract="0.75462322"
                           z3="4.20729"
                           zFract="0.18934698"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5796"
                           xFract="0.77957346"
                           y3="6.01375"
                           yFract="0.71252962"
                           z3="8.43336"
                           zFract="0.37953915"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.222">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.24748"
                           xFract="0.02932227"
                           y3="3.86553"
                           yFract="0.45800118"
                           z3="10.56192"
                           zFract="0.47533393"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05274"
                           xFract="-0.00624882"
                           y3="6.51685"
                           yFract="0.77213863"
                           z3="8.43252"
                           zFract="0.37950135"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33874"
                           xFract="0.75103555"
                           y3="0.01652"
                           yFract="0.00195735"
                           z3="4.24437"
                           zFract="0.19101575"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.29978"
                           xFract="0.03551896"
                           y3="1.95102"
                           yFract="0.23116351"
                           z3="9.02521"
                           zFract="0.40617507"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36274"
                           xFract="0.75387915"
                           y3="6.31999"
                           yFract="0.74881398"
                           z3="6.34783"
                           zFract="0.28568092"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20594"
                           xFract="0.49833412"
                           y3="6.33394"
                           yFract="0.75046682"
                           z3="4.22229"
                           zFract="0.19002205"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4152"
                           xFract="0.99706161"
                           y3="0.08243"
                           yFract="0.00976659"
                           z3="6.36081"
                           zFract="0.28626508"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41926"
                           xFract="0.99754265"
                           y3="2.11334"
                           yFract="0.25039573"
                           z3="4.20722"
                           zFract="0.18934383"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10423"
                           xFract="0.24931635"
                           y3="4.40106"
                           yFract="0.52145261"
                           z3="8.57172"
                           zFract="0.38576598"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08824"
                           xFract="0.2474218"
                           y3="4.20785"
                           yFract="0.49856043"
                           z3="4.2798"
                           zFract="0.19261026"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06772"
                           xFract="0.24499052"
                           y3="6.35554"
                           yFract="0.75302607"
                           z3="6.37478"
                           zFract="0.28689379"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10331"
                           xFract="0.24920735"
                           y3="0.01465"
                           yFract="0.00173578"
                           z3="4.23243"
                           zFract="0.1904784"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27777"
                           xFract="0.50684479"
                           y3="0.00724"
                           yFract="0.00085782"
                           z3="6.32854"
                           zFract="0.28481278"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36567"
                           xFract="0.7542263"
                           y3="2.13925"
                           yFract="0.25346564"
                           z3="6.38039"
                           zFract="0.28714626"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.76251"
                           xFract="0.80124526"
                           y3="4.08591"
                           yFract="0.48411256"
                           z3="8.64653"
                           zFract="0.38913276"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.15475"
                           xFract="0.49226896"
                           y3="2.34772"
                           yFract="0.27816588"
                           z3="8.51489"
                           zFract="0.38320837"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42658"
                           xFract="0.99840995"
                           y3="6.31494"
                           yFract="0.74821564"
                           z3="4.24875"
                           zFract="0.19121287"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39635"
                           xFract="0.9948282"
                           y3="4.17603"
                           yFract="0.49479028"
                           z3="6.46489"
                           zFract="0.29094914"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21189"
                           xFract="0.4990391"
                           y3="2.11899"
                           yFract="0.25106517"
                           z3="4.24981"
                           zFract="0.19126058"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03305"
                           xFract="0.2408827"
                           y3="2.07942"
                           yFract="0.24637678"
                           z3="6.44804"
                           zFract="0.29019082"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36259"
                           xFract="0.75386137"
                           y3="4.21328"
                           yFract="0.49920379"
                           z3="4.24498"
                           zFract="0.1910432"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.59832"
                           xFract="0.54482464"
                           y3="6.2658"
                           yFract="0.74239336"
                           z3="8.55929"
                           zFract="0.38520657"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27296"
                           xFract="0.50627488"
                           y3="4.20956"
                           yFract="0.49876303"
                           z3="6.46056"
                           zFract="0.29075428"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.31016"
                           xFract="0.27371564"
                           y3="-0.09514"
                           yFract="-0.01127251"
                           z3="8.47901"
                           zFract="0.38159361"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2809"
                           xFract="0.74418246"
                           y3="0.52672"
                           yFract="0.06240758"
                           z3="8.49737"
                           zFract="0.38241989"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27089"
                           xFract="0.97996327"
                           y3="2.03131"
                           yFract="0.24067654"
                           z3="6.22903"
                           zFract="0.28033438"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1895"
                           xFract="0.25941943"
                           y3="8.43338"
                           yFract="0.99921564"
                           z3="6.30413"
                           zFract="0.28371422"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00916"
                           xFract="0.00108531"
                           y3="0.01957"
                           yFract="0.00231872"
                           z3="4.25598"
                           zFract="0.19153825"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30829"
                           xFract="0.98439455"
                           y3="0.17064"
                           yFract="0.02021801"
                           z3="8.37098"
                           zFract="0.37673177"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12882"
                           xFract="0.25222986"
                           y3="2.12155"
                           yFract="0.25136848"
                           z3="4.3143"
                           zFract="0.19416292"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1211"
                           xFract="0.25131517"
                           y3="1.85925"
                           yFract="0.22029028"
                           z3="8.52078"
                           zFract="0.38347345"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43212"
                           xFract="0.5251327"
                           y3="2.10925"
                           yFract="0.24991114"
                           z3="6.38195"
                           zFract="0.28721647"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33559"
                           xFract="0.75066232"
                           y3="8.3421"
                           yFract="0.98840047"
                           z3="6.29649"
                           zFract="0.28337039"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21591"
                           xFract="0.4995154"
                           y3="8.31861"
                           yFract="0.9856173"
                           z3="4.20201"
                           zFract="0.18910936"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.43447"
                           xFract="0.52541114"
                           y3="-0.19835"
                           yFract="-0.02350118"
                           z3="8.48518"
                           zFract="0.38187129"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28712"
                           xFract="0.74491943"
                           y3="2.07526"
                           yFract="0.24588389"
                           z3="4.05028"
                           zFract="0.18228083"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.91828"
                           xFract="0.81970142"
                           y3="2.28439"
                           yFract="0.27066232"
                           z3="9.21746"
                           zFract="0.41482718"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40948"
                           xFract="0.99638389"
                           y3="6.52337"
                           yFract="0.77291114"
                           z3="6.34013"
                           zFract="0.28533438"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93788"
                           xFract="0.22960664"
                           y3="4.24158"
                           yFract="0.50255687"
                           z3="6.49332"
                           zFract="0.29222862"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02834"
                           xFract="0.00335782"
                           y3="4.19094"
                           yFract="0.49655687"
                           z3="4.12667"
                           zFract="0.18571872"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.75155"
                           xFract="0.08904621"
                           y3="3.65399"
                           yFract="0.4329372"
                           z3="9.76614"
                           zFract="0.43952025"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20497"
                           xFract="0.26125237"
                           y3="6.3203"
                           yFract="0.74885071"
                           z3="4.28759"
                           zFract="0.19296085"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89736"
                           xFract="0.22480569"
                           y3="6.4332"
                           yFract="0.76222749"
                           z3="8.47441"
                           zFract="0.38138659"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24113"
                           xFract="0.50250355"
                           y3="6.33214"
                           yFract="0.75025355"
                           z3="6.22458"
                           zFract="0.28013411"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42341"
                           xFract="0.76106754"
                           y3="4.31171"
                           yFract="0.51086611"
                           z3="6.29041"
                           zFract="0.28309676"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18408"
                           xFract="0.49574408"
                           y3="4.35642"
                           yFract="0.51616351"
                           z3="4.29553"
                           zFract="0.19331818"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.07951"
                           xFract="0.48335427"
                           y3="4.37758"
                           yFract="0.51867062"
                           z3="8.54075"
                           zFract="0.38437219"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18824"
                           xFract="0.73320379"
                           y3="6.36869"
                           yFract="0.75458412"
                           z3="4.20682"
                           zFract="0.18932583"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.58134"
                           xFract="0.77977962"
                           y3="6.01004"
                           yFract="0.71209005"
                           z3="8.43212"
                           zFract="0.37948335"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.223">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.24606"
                           xFract="0.02915403"
                           y3="3.86407"
                           yFract="0.4578282"
                           z3="10.55822"
                           zFract="0.47516742"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05324"
                           xFract="-0.00630806"
                           y3="6.51836"
                           yFract="0.77231754"
                           z3="8.43178"
                           zFract="0.37946805"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33897"
                           xFract="0.7510628"
                           y3="0.01676"
                           yFract="0.00198578"
                           z3="4.24449"
                           zFract="0.19102115"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30102"
                           xFract="0.03566588"
                           y3="1.94866"
                           yFract="0.23088389"
                           z3="9.02771"
                           zFract="0.40628758"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36334"
                           xFract="0.75395024"
                           y3="6.3189"
                           yFract="0.74868483"
                           z3="6.3469"
                           zFract="0.28563906"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20634"
                           xFract="0.49838152"
                           y3="6.33427"
                           yFract="0.75050592"
                           z3="4.2224"
                           zFract="0.190027"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41561"
                           xFract="0.99711019"
                           y3="0.08235"
                           yFract="0.00975711"
                           z3="6.35996"
                           zFract="0.28622682"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4191"
                           xFract="0.9975237"
                           y3="2.11335"
                           yFract="0.25039692"
                           z3="4.20684"
                           zFract="0.18932673"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10229"
                           xFract="0.24908649"
                           y3="4.40382"
                           yFract="0.52177962"
                           z3="8.57374"
                           zFract="0.38585689"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08817"
                           xFract="0.24741351"
                           y3="4.20816"
                           yFract="0.49859716"
                           z3="4.28109"
                           zFract="0.19266832"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06828"
                           xFract="0.24505687"
                           y3="6.3550"
                           yFract="0.75296209"
                           z3="6.37493"
                           zFract="0.28690054"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10373"
                           xFract="0.24925711"
                           y3="0.01431"
                           yFract="0.0016955"
                           z3="4.23282"
                           zFract="0.19049595"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27781"
                           xFract="0.50684953"
                           y3="0.00716"
                           yFract="0.00084834"
                           z3="6.3289"
                           zFract="0.28482898"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36672"
                           xFract="0.75435071"
                           y3="2.13876"
                           yFract="0.25340758"
                           z3="6.38132"
                           zFract="0.28718812"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.76757"
                           xFract="0.80184479"
                           y3="4.08377"
                           yFract="0.483859"
                           z3="8.64671"
                           zFract="0.38914086"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.15111"
                           xFract="0.49183768"
                           y3="2.35107"
                           yFract="0.2785628"
                           z3="8.5136"
                           zFract="0.38315032"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42764"
                           xFract="0.99853555"
                           y3="6.31473"
                           yFract="0.74819076"
                           z3="4.24834"
                           zFract="0.19119442"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39659"
                           xFract="0.99485664"
                           y3="4.17573"
                           yFract="0.49475474"
                           z3="6.46561"
                           zFract="0.29098155"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21132"
                           xFract="0.49897156"
                           y3="2.11908"
                           yFract="0.25107583"
                           z3="4.24942"
                           zFract="0.19124302"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03327"
                           xFract="0.24090877"
                           y3="2.0796"
                           yFract="0.2463981"
                           z3="6.44783"
                           zFract="0.29018137"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36245"
                           xFract="0.75384479"
                           y3="4.21298"
                           yFract="0.49916825"
                           z3="4.24583"
                           zFract="0.19108146"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.60177"
                           xFract="0.54523341"
                           y3="6.26486"
                           yFract="0.74228199"
                           z3="8.56101"
                           zFract="0.38528398"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2728"
                           xFract="0.50625592"
                           y3="4.21078"
                           yFract="0.49890758"
                           z3="6.46142"
                           zFract="0.29079298"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.3139"
                           xFract="0.27415877"
                           y3="-0.09707"
                           yFract="-0.01150118"
                           z3="8.47898"
                           zFract="0.38159226"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28049"
                           xFract="0.74413389"
                           y3="0.53213"
                           yFract="0.06304858"
                           z3="8.49653"
                           zFract="0.38238209"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27093"
                           xFract="0.97996801"
                           y3="2.03123"
                           yFract="0.24066706"
                           z3="6.22807"
                           zFract="0.28029118"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18987"
                           xFract="0.25946327"
                           y3="8.43264"
                           yFract="0.99912796"
                           z3="6.30471"
                           zFract="0.28374032"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00977"
                           xFract="0.00115758"
                           y3="0.01959"
                           yFract="0.00232109"
                           z3="4.25579"
                           zFract="0.1915297"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30666"
                           xFract="0.98420142"
                           y3="0.17163"
                           yFract="0.02033531"
                           z3="8.37145"
                           zFract="0.37675293"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12928"
                           xFract="0.25228436"
                           y3="2.12163"
                           yFract="0.25137796"
                           z3="4.31463"
                           zFract="0.19417777"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12356"
                           xFract="0.25160664"
                           y3="1.85607"
                           yFract="0.21991351"
                           z3="8.51997"
                           zFract="0.38343699"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43397"
                           xFract="0.5253519"
                           y3="2.10918"
                           yFract="0.24990284"
                           z3="6.38264"
                           zFract="0.28724752"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33551"
                           xFract="0.75065284"
                           y3="8.34126"
                           yFract="0.98830095"
                           z3="6.29573"
                           zFract="0.28333618"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21617"
                           xFract="0.49954621"
                           y3="8.3183"
                           yFract="0.98558057"
                           z3="4.20165"
                           zFract="0.18909316"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.43721"
                           xFract="0.52573578"
                           y3="-0.19979"
                           yFract="-0.0236718"
                           z3="8.48664"
                           zFract="0.38193699"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28655"
                           xFract="0.7448519"
                           y3="2.07572"
                           yFract="0.24593839"
                           z3="4.0493"
                           zFract="0.18223672"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.9230"
                           xFract="0.82026066"
                           y3="2.28488"
                           yFract="0.27072038"
                           z3="9.22072"
                           zFract="0.4149739"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40922"
                           xFract="0.99635308"
                           y3="6.52486"
                           yFract="0.77308768"
                           z3="6.3407"
                           zFract="0.28536004"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93818"
                           xFract="0.22964218"
                           y3="4.24307"
                           yFract="0.50273341"
                           z3="6.49361"
                           zFract="0.29224167"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02876"
                           xFract="0.00340758"
                           y3="4.19098"
                           yFract="0.49656161"
                           z3="4.12724"
                           zFract="0.18574437"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.76056"
                           xFract="0.09011374"
                           y3="3.64732"
                           yFract="0.43214692"
                           z3="9.77738"
                           zFract="0.4400261"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20547"
                           xFract="0.26131161"
                           y3="6.32017"
                           yFract="0.74883531"
                           z3="4.28726"
                           zFract="0.19294599"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89748"
                           xFract="0.22481991"
                           y3="6.43406"
                           yFract="0.76232938"
                           z3="8.47474"
                           zFract="0.38140144"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24172"
                           xFract="0.50257346"
                           y3="6.33197"
                           yFract="0.75023341"
                           z3="6.22414"
                           zFract="0.28011431"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42311"
                           xFract="0.76103199"
                           y3="4.31093"
                           yFract="0.5107737"
                           z3="6.28995"
                           zFract="0.28307606"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18365"
                           xFract="0.49569313"
                           y3="4.35614"
                           yFract="0.51613033"
                           z3="4.2946"
                           zFract="0.19327633"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.07761"
                           xFract="0.48312915"
                           y3="4.37985"
                           yFract="0.51893957"
                           z3="8.54207"
                           zFract="0.38443159"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1881"
                           xFract="0.7331872"
                           y3="6.36833"
                           yFract="0.75454147"
                           z3="4.20632"
                           zFract="0.18930333"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.58315"
                           xFract="0.77999408"
                           y3="6.00616"
                           yFract="0.71163033"
                           z3="8.43082"
                           zFract="0.37942484"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.224">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.24525"
                           xFract="0.02905806"
                           y3="3.86392"
                           yFract="0.45781043"
                           z3="10.55788"
                           zFract="0.47515212"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05334"
                           xFract="-0.00631991"
                           y3="6.51874"
                           yFract="0.77236256"
                           z3="8.4316"
                           zFract="0.37945995"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33903"
                           xFract="0.75106991"
                           y3="0.01681"
                           yFract="0.00199171"
                           z3="4.24452"
                           zFract="0.1910225"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30114"
                           xFract="0.03568009"
                           y3="1.94812"
                           yFract="0.23081991"
                           z3="9.02839"
                           zFract="0.40631818"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3635"
                           xFract="0.75396919"
                           y3="6.31864"
                           yFract="0.74865403"
                           z3="6.34668"
                           zFract="0.28562916"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20641"
                           xFract="0.49838981"
                           y3="6.33433"
                           yFract="0.75051303"
                           z3="4.22243"
                           zFract="0.19002835"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41568"
                           xFract="0.99711848"
                           y3="0.08234"
                           yFract="0.00975592"
                           z3="6.3598"
                           zFract="0.28621962"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41907"
                           xFract="0.99752014"
                           y3="2.11336"
                           yFract="0.2503981"
                           z3="4.2067"
                           zFract="0.18932043"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10181"
                           xFract="0.24902962"
                           y3="4.40446"
                           yFract="0.52185545"
                           z3="8.57425"
                           zFract="0.38587984"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08815"
                           xFract="0.24741114"
                           y3="4.20822"
                           yFract="0.49860427"
                           z3="4.28139"
                           zFract="0.19268182"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06842"
                           xFract="0.24507346"
                           y3="6.35489"
                           yFract="0.75294905"
                           z3="6.37498"
                           zFract="0.28690279"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10384"
                           xFract="0.24927014"
                           y3="0.01423"
                           yFract="0.00168602"
                           z3="4.23289"
                           zFract="0.1904991"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27783"
                           xFract="0.5068519"
                           y3="0.00713"
                           yFract="0.00084479"
                           z3="6.3290"
                           zFract="0.28483348"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36698"
                           xFract="0.75438152"
                           y3="2.13864"
                           yFract="0.25339336"
                           z3="6.38154"
                           zFract="0.28719802"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.76877"
                           xFract="0.80198697"
                           y3="4.08323"
                           yFract="0.48379502"
                           z3="8.64677"
                           zFract="0.38914356"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.15021"
                           xFract="0.49173104"
                           y3="2.35186"
                           yFract="0.2786564"
                           z3="8.51329"
                           zFract="0.38313636"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42791"
                           xFract="0.99856754"
                           y3="6.31467"
                           yFract="0.74818365"
                           z3="4.24826"
                           zFract="0.19119082"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39664"
                           xFract="0.99486256"
                           y3="4.17564"
                           yFract="0.49474408"
                           z3="6.4658"
                           zFract="0.2909901"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21121"
                           xFract="0.49895853"
                           y3="2.11911"
                           yFract="0.25107938"
                           z3="4.24931"
                           zFract="0.19123807"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03332"
                           xFract="0.24091469"
                           y3="2.07966"
                           yFract="0.24640521"
                           z3="6.44778"
                           zFract="0.29017912"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36244"
                           xFract="0.7538436"
                           y3="4.2129"
                           yFract="0.49915877"
                           z3="4.24601"
                           zFract="0.19108956"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6026"
                           xFract="0.54533175"
                           y3="6.26472"
                           yFract="0.7422654"
                           z3="8.56143"
                           zFract="0.38530288"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27277"
                           xFract="0.50625237"
                           y3="4.21106"
                           yFract="0.49894076"
                           z3="6.46164"
                           zFract="0.29080288"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.31483"
                           xFract="0.27426896"
                           y3="-0.09751"
                           yFract="-0.01155332"
                           z3="8.47897"
                           zFract="0.38159181"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2804"
                           xFract="0.74412322"
                           y3="0.53349"
                           yFract="0.06320972"
                           z3="8.49634"
                           zFract="0.38237354"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27098"
                           xFract="0.97997393"
                           y3="2.0312"
                           yFract="0.24066351"
                           z3="6.22784"
                           zFract="0.28028083"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.18997"
                           xFract="0.25947512"
                           y3="8.43244"
                           yFract="0.99910427"
                           z3="6.30486"
                           zFract="0.28374707"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00989"
                           xFract="0.0011718"
                           y3="0.01958"
                           yFract="0.00231991"
                           z3="4.25576"
                           zFract="0.19152835"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3063"
                           xFract="0.98415877"
                           y3="0.1719"
                           yFract="0.0203673"
                           z3="8.37155"
                           zFract="0.37675743"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12939"
                           xFract="0.25229739"
                           y3="2.12165"
                           yFract="0.25138033"
                           z3="4.31472"
                           zFract="0.19418182"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12414"
                           xFract="0.25167536"
                           y3="1.85528"
                           yFract="0.21981991"
                           z3="8.51975"
                           zFract="0.38342709"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4344"
                           xFract="0.52540284"
                           y3="2.10917"
                           yFract="0.24990166"
                           z3="6.38276"
                           zFract="0.28725293"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33549"
                           xFract="0.75065047"
                           y3="8.34102"
                           yFract="0.98827251"
                           z3="6.29552"
                           zFract="0.28332673"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21623"
                           xFract="0.49955332"
                           y3="8.31824"
                           yFract="0.98557346"
                           z3="4.20159"
                           zFract="0.18909046"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.43787"
                           xFract="0.52581398"
                           y3="-0.20014"
                           yFract="-0.02371327"
                           z3="8.4870"
                           zFract="0.3819532"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2864"
                           xFract="0.74483412"
                           y3="2.07582"
                           yFract="0.24595024"
                           z3="4.04907"
                           zFract="0.18222637"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.9243"
                           xFract="0.82041469"
                           y3="2.28497"
                           yFract="0.27073104"
                           z3="9.22154"
                           zFract="0.4150108"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40916"
                           xFract="0.99634597"
                           y3="6.52521"
                           yFract="0.77312915"
                           z3="6.34085"
                           zFract="0.28536679"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93827"
                           xFract="0.22965284"
                           y3="4.24341"
                           yFract="0.5027737"
                           z3="6.49369"
                           zFract="0.29224527"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02885"
                           xFract="0.00341825"
                           y3="4.19102"
                           yFract="0.49656635"
                           z3="4.12739"
                           zFract="0.18575113"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.7633"
                           xFract="0.09043839"
                           y3="3.64548"
                           yFract="0.43192891"
                           z3="9.77948"
                           zFract="0.44012061"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20561"
                           xFract="0.2613282"
                           y3="6.32014"
                           yFract="0.74883175"
                           z3="4.28717"
                           zFract="0.19294194"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89751"
                           xFract="0.22482346"
                           y3="6.43425"
                           yFract="0.7623519"
                           z3="8.47482"
                           zFract="0.38140504"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24188"
                           xFract="0.50259242"
                           y3="6.33192"
                           yFract="0.75022749"
                           z3="6.22403"
                           zFract="0.28010936"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42302"
                           xFract="0.76102133"
                           y3="4.31072"
                           yFract="0.51074882"
                           z3="6.28983"
                           zFract="0.28307066"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18355"
                           xFract="0.49568128"
                           y3="4.35608"
                           yFract="0.51612322"
                           z3="4.29439"
                           zFract="0.19326688"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.07712"
                           xFract="0.48307109"
                           y3="4.38038"
                           yFract="0.51900237"
                           z3="8.54239"
                           zFract="0.38444599"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18808"
                           xFract="0.73318483"
                           y3="6.36825"
                           yFract="0.75453199"
                           z3="4.20621"
                           zFract="0.18929838"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.58358"
                           xFract="0.78004502"
                           y3="6.0052"
                           yFract="0.71151659"
                           z3="8.43049"
                           zFract="0.37940999"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.225">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.24281"
                           xFract="0.02876896"
                           y3="3.8635"
                           yFract="0.45776066"
                           z3="10.55687"
                           zFract="0.47510666"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05363"
                           xFract="-0.00635427"
                           y3="6.51988"
                           yFract="0.77249763"
                           z3="8.43106"
                           zFract="0.37943564"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33922"
                           xFract="0.75109242"
                           y3="0.01697"
                           yFract="0.00201066"
                           z3="4.2446"
                           zFract="0.1910261"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.3015"
                           xFract="0.03572275"
                           y3="1.94647"
                           yFract="0.23062441"
                           z3="9.03043"
                           zFract="0.40640999"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36395"
                           xFract="0.75402251"
                           y3="6.31786"
                           yFract="0.74856161"
                           z3="6.34602"
                           zFract="0.28559946"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20661"
                           xFract="0.49841351"
                           y3="6.33452"
                           yFract="0.75053555"
                           z3="4.2225"
                           zFract="0.1900315"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41589"
                           xFract="0.99714336"
                           y3="0.08232"
                           yFract="0.00975355"
                           z3="6.35931"
                           zFract="0.28619757"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41899"
                           xFract="0.99751066"
                           y3="2.11338"
                           yFract="0.25040047"
                           z3="4.20627"
                           zFract="0.18930108"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10038"
                           xFract="0.24886019"
                           y3="4.4064"
                           yFract="0.52208531"
                           z3="8.57578"
                           zFract="0.38594869"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08809"
                           xFract="0.24740403"
                           y3="4.20841"
                           yFract="0.49862678"
                           z3="4.28228"
                           zFract="0.19272187"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06884"
                           xFract="0.24512322"
                           y3="6.35455"
                           yFract="0.75290877"
                           z3="6.3751"
                           zFract="0.28690819"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10415"
                           xFract="0.24930687"
                           y3="0.01397"
                           yFract="0.00165521"
                           z3="4.23311"
                           zFract="0.190509"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27789"
                           xFract="0.506859"
                           y3="0.00705"
                           yFract="0.00083531"
                           z3="6.32929"
                           zFract="0.28484653"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36777"
                           xFract="0.75447512"
                           y3="2.1383"
                           yFract="0.25335308"
                           z3="6.3822"
                           zFract="0.28722772"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.77237"
                           xFract="0.80241351"
                           y3="4.08163"
                           yFract="0.48360545"
                           z3="8.64698"
                           zFract="0.38915302"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.14752"
                           xFract="0.49141232"
                           y3="2.35421"
                           yFract="0.27893483"
                           z3="8.51235"
                           zFract="0.38309406"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.42869"
                           xFract="0.99865995"
                           y3="6.3145"
                           yFract="0.74816351"
                           z3="4.24803"
                           zFract="0.19118047"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39681"
                           xFract="0.9948827"
                           y3="4.17538"
                           yFract="0.49471327"
                           z3="6.46637"
                           zFract="0.29101575"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21086"
                           xFract="0.49891706"
                           y3="2.11919"
                           yFract="0.25108886"
                           z3="4.24898"
                           zFract="0.19122322"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03346"
                           xFract="0.24093128"
                           y3="2.07982"
                           yFract="0.24642417"
                           z3="6.4476"
                           zFract="0.29017102"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36238"
                           xFract="0.75383649"
                           y3="4.21264"
                           yFract="0.49912796"
                           z3="4.24657"
                           zFract="0.19111476"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.60509"
                           xFract="0.54562678"
                           y3="6.2643"
                           yFract="0.74221564"
                           z3="8.5627"
                           zFract="0.38536004"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27267"
                           xFract="0.50624052"
                           y3="4.21192"
                           yFract="0.49904265"
                           z3="6.46228"
                           zFract="0.29083168"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.31761"
                           xFract="0.27459834"
                           y3="-0.09885"
                           yFract="-0.01171209"
                           z3="8.47894"
                           zFract="0.38159046"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28014"
                           xFract="0.74409242"
                           y3="0.53757"
                           yFract="0.06369313"
                           z3="8.49577"
                           zFract="0.38234788"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27112"
                           xFract="0.97999052"
                           y3="2.03112"
                           yFract="0.24065403"
                           z3="6.22715"
                           zFract="0.28024977"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19028"
                           xFract="0.25951185"
                           y3="8.43186"
                           yFract="0.99903555"
                           z3="6.30532"
                           zFract="0.28376778"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01026"
                           xFract="0.00121564"
                           y3="0.01955"
                           yFract="0.00231635"
                           z3="4.25565"
                           zFract="0.1915234"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30522"
                           xFract="0.98403081"
                           y3="0.17272"
                           yFract="0.02046445"
                           z3="8.37184"
                           zFract="0.37677048"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12971"
                           xFract="0.25233531"
                           y3="2.12169"
                           yFract="0.25138507"
                           z3="4.3150"
                           zFract="0.19419442"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1259"
                           xFract="0.25188389"
                           y3="1.85292"
                           yFract="0.21954028"
                           z3="8.5191"
                           zFract="0.38339784"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43569"
                           xFract="0.52555569"
                           y3="2.10912"
                           yFract="0.24989573"
                           z3="6.38311"
                           zFract="0.28726868"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33542"
                           xFract="0.75064218"
                           y3="8.34033"
                           yFract="0.98819076"
                           z3="6.29486"
                           zFract="0.28329703"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21643"
                           xFract="0.49957701"
                           y3="8.31805"
                           yFract="0.98555095"
                           z3="4.20142"
                           zFract="0.18908281"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.43985"
                           xFract="0.52604858"
                           y3="-0.20118"
                           yFract="-0.02383649"
                           z3="8.48808"
                           zFract="0.3820018"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28594"
                           xFract="0.74477962"
                           y3="2.07612"
                           yFract="0.24598578"
                           z3="4.0484"
                           zFract="0.18219622"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.9282"
                           xFract="0.82087678"
                           y3="2.28524"
                           yFract="0.27076303"
                           z3="9.22399"
                           zFract="0.41512106"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40898"
                           xFract="0.99632464"
                           y3="6.52627"
                           yFract="0.77325474"
                           z3="6.34131"
                           zFract="0.28538749"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93852"
                           xFract="0.22968246"
                           y3="4.24443"
                           yFract="0.50289455"
                           z3="6.49391"
                           zFract="0.29225518"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02912"
                           xFract="0.00345024"
                           y3="4.19113"
                           yFract="0.49657938"
                           z3="4.12785"
                           zFract="0.18577183"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.7715"
                           xFract="0.09140995"
                           y3="3.63996"
                           yFract="0.43127488"
                           z3="9.78578"
                           zFract="0.44040414"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20604"
                           xFract="0.26137915"
                           y3="6.32006"
                           yFract="0.74882227"
                           z3="4.28693"
                           zFract="0.19293114"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89759"
                           xFract="0.22483294"
                           y3="6.43484"
                           yFract="0.7624218"
                           z3="8.47507"
                           zFract="0.38141629"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24235"
                           xFract="0.5026481"
                           y3="6.33177"
                           yFract="0.75020972"
                           z3="6.22371"
                           zFract="0.28009496"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42276"
                           xFract="0.76099052"
                           y3="4.31008"
                           yFract="0.51067299"
                           z3="6.28946"
                           zFract="0.28305401"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18327"
                           xFract="0.4956481"
                           y3="4.3559"
                           yFract="0.5161019"
                           z3="4.29376"
                           zFract="0.19323852"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.07563"
                           xFract="0.48289455"
                           y3="4.38194"
                           yFract="0.5191872"
                           z3="8.54332"
                           zFract="0.38448785"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18803"
                           xFract="0.73317891"
                           y3="6.36799"
                           yFract="0.75450118"
                           z3="4.20587"
                           zFract="0.18928308"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.58489"
                           xFract="0.78020024"
                           y3="6.00232"
                           yFract="0.71117536"
                           z3="8.4295"
                           zFract="0.37936544"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.226">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23792"
                           xFract="0.02818957"
                           y3="3.86266"
                           yFract="0.45766114"
                           z3="10.55484"
                           zFract="0.4750153"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05421"
                           xFract="-0.00642299"
                           y3="6.52215"
                           yFract="0.77276659"
                           z3="8.42999"
                           zFract="0.37938749"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33958"
                           xFract="0.75113507"
                           y3="0.01729"
                           yFract="0.00204858"
                           z3="4.24476"
                           zFract="0.1910333"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30222"
                           xFract="0.03580806"
                           y3="1.94319"
                           yFract="0.23023578"
                           z3="9.03451"
                           zFract="0.40659361"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36487"
                           xFract="0.75413152"
                           y3="6.31629"
                           yFract="0.74837559"
                           z3="6.34468"
                           zFract="0.28553915"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20701"
                           xFract="0.4984609"
                           y3="6.33488"
                           yFract="0.7505782"
                           z3="4.22264"
                           zFract="0.1900378"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41631"
                           xFract="0.99719313"
                           y3="0.08227"
                           yFract="0.00974763"
                           z3="6.35833"
                           zFract="0.28615347"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41882"
                           xFract="0.99749052"
                           y3="2.11342"
                           yFract="0.25040521"
                           z3="4.2054"
                           zFract="0.18926193"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09752"
                           xFract="0.24852133"
                           y3="4.41026"
                           yFract="0.52254265"
                           z3="8.57885"
                           zFract="0.38608686"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08799"
                           xFract="0.24739218"
                           y3="4.20878"
                           yFract="0.49867062"
                           z3="4.28406"
                           zFract="0.19280198"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.06967"
                           xFract="0.24522156"
                           y3="6.35386"
                           yFract="0.75282701"
                           z3="6.37536"
                           zFract="0.28691989"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10478"
                           xFract="0.24938152"
                           y3="0.01345"
                           yFract="0.0015936"
                           z3="4.23353"
                           zFract="0.1905279"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2780"
                           xFract="0.50687204"
                           y3="0.00688"
                           yFract="0.00081517"
                           z3="6.32988"
                           zFract="0.28487309"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36935"
                           xFract="0.75466232"
                           y3="2.13761"
                           yFract="0.25327133"
                           z3="6.38352"
                           zFract="0.28728713"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.77958"
                           xFract="0.80326777"
                           y3="4.07841"
                           yFract="0.48322393"
                           z3="8.64738"
                           zFract="0.38917102"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.14213"
                           xFract="0.4907737"
                           y3="2.35892"
                           yFract="0.27949289"
                           z3="8.51048"
                           zFract="0.3830099"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43026"
                           xFract="0.99884597"
                           y3="6.31417"
                           yFract="0.74812441"
                           z3="4.24756"
                           zFract="0.19115932"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39713"
                           xFract="0.99492062"
                           y3="4.17487"
                           yFract="0.49465284"
                           z3="6.46752"
                           zFract="0.29106751"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21018"
                           xFract="0.49883649"
                           y3="2.11934"
                           yFract="0.25110664"
                           z3="4.24833"
                           zFract="0.19119397"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03374"
                           xFract="0.24096445"
                           y3="2.08014"
                           yFract="0.24646209"
                           z3="6.44725"
                           zFract="0.29015527"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36228"
                           xFract="0.75382464"
                           y3="4.21214"
                           yFract="0.49906872"
                           z3="4.24769"
                           zFract="0.19116517"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.61006"
                           xFract="0.54621564"
                           y3="6.26345"
                           yFract="0.74211493"
                           z3="8.56523"
                           zFract="0.3854739"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27247"
                           xFract="0.50621682"
                           y3="4.21363"
                           yFract="0.49924526"
                           z3="6.46358"
                           zFract="0.29089019"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.32318"
                           xFract="0.27525829"
                           y3="-0.10152"
                           yFract="-0.01202844"
                           z3="8.4789"
                           zFract="0.38158866"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27961"
                           xFract="0.74402962"
                           y3="0.54573"
                           yFract="0.06465995"
                           z3="8.49463"
                           zFract="0.38229658"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27141"
                           xFract="0.98002488"
                           y3="2.03095"
                           yFract="0.24063389"
                           z3="6.22578"
                           zFract="0.28018812"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19088"
                           xFract="0.25958294"
                           y3="8.43068"
                           yFract="0.99889573"
                           z3="6.30624"
                           zFract="0.28380918"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01099"
                           xFract="0.00130213"
                           y3="0.01949"
                           yFract="0.00230924"
                           z3="4.25545"
                           zFract="0.1915144"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30307"
                           xFract="0.98377607"
                           y3="0.17434"
                           yFract="0.0206564"
                           z3="8.37244"
                           zFract="0.37679748"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13035"
                           xFract="0.25241114"
                           y3="2.12178"
                           yFract="0.25139573"
                           z3="4.31555"
                           zFract="0.19421917"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12941"
                           xFract="0.25229976"
                           y3="1.84818"
                           yFract="0.21897867"
                           z3="8.51779"
                           zFract="0.38333888"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43826"
                           xFract="0.52586019"
                           y3="2.10901"
                           yFract="0.2498827"
                           z3="6.38381"
                           zFract="0.28730018"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33529"
                           xFract="0.75062678"
                           y3="8.33894"
                           yFract="0.98802607"
                           z3="6.29356"
                           zFract="0.28323852"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21684"
                           xFract="0.49962559"
                           y3="8.31767"
                           yFract="0.98550592"
                           z3="4.20108"
                           zFract="0.18906751"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.44381"
                           xFract="0.52651777"
                           y3="-0.20327"
                           yFract="-0.02408412"
                           z3="8.49024"
                           zFract="0.38209901"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28503"
                           xFract="0.7446718"
                           y3="2.07673"
                           yFract="0.24605806"
                           z3="4.04705"
                           zFract="0.18213546"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.9360"
                           xFract="0.82180095"
                           y3="2.28579"
                           yFract="0.2708282"
                           z3="9.22888"
                           zFract="0.41534113"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4086"
                           xFract="0.99627962"
                           y3="6.52839"
                           yFract="0.77350592"
                           z3="6.34224"
                           zFract="0.28542934"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93902"
                           xFract="0.22974171"
                           y3="4.24647"
                           yFract="0.50313626"
                           z3="6.49436"
                           zFract="0.29227543"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02966"
                           xFract="0.00351422"
                           y3="4.19137"
                           yFract="0.49660782"
                           z3="4.12878"
                           zFract="0.18581368"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.7879"
                           xFract="0.09335308"
                           y3="3.62891"
                           yFract="0.42996564"
                           z3="9.79838"
                           zFract="0.4409712"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2069"
                           xFract="0.26148104"
                           y3="6.3199"
                           yFract="0.74880332"
                           z3="4.28644"
                           zFract="0.19290909"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89776"
                           xFract="0.22485308"
                           y3="6.4360"
                           yFract="0.76255924"
                           z3="8.47557"
                           zFract="0.38143879"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2433"
                           xFract="0.50276066"
                           y3="6.33148"
                           yFract="0.75017536"
                           z3="6.22306"
                           zFract="0.28006571"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42225"
                           xFract="0.76093009"
                           y3="4.30879"
                           yFract="0.51052014"
                           z3="6.28873"
                           zFract="0.28302115"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18269"
                           xFract="0.49557938"
                           y3="4.35553"
                           yFract="0.51605806"
                           z3="4.29251"
                           zFract="0.19318227"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.07264"
                           xFract="0.48254028"
                           y3="4.38507"
                           yFract="0.51955806"
                           z3="8.5452"
                           zFract="0.38457246"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18792"
                           xFract="0.73316588"
                           y3="6.36748"
                           yFract="0.75444076"
                           z3="4.20519"
                           zFract="0.18925248"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.58749"
                           xFract="0.78050829"
                           y3="5.99657"
                           yFract="0.71049408"
                           z3="8.42752"
                           zFract="0.37927633"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.227">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.22816"
                           xFract="0.02703318"
                           y3="3.86097"
                           yFract="0.4574609"
                           z3="10.55078"
                           zFract="0.47483258"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05537"
                           xFract="-0.00656043"
                           y3="6.5267"
                           yFract="0.77330569"
                           z3="8.42783"
                           zFract="0.37929028"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34031"
                           xFract="0.75122156"
                           y3="0.01792"
                           yFract="0.00212322"
                           z3="4.24508"
                           zFract="0.1910477"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30366"
                           xFract="0.03597867"
                           y3="1.93662"
                           yFract="0.22945735"
                           z3="9.04267"
                           zFract="0.40696085"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3667"
                           xFract="0.75434834"
                           y3="6.31317"
                           yFract="0.74800592"
                           z3="6.34202"
                           zFract="0.28541944"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20782"
                           xFract="0.49855687"
                           y3="6.33562"
                           yFract="0.75066588"
                           z3="4.22293"
                           zFract="0.19005086"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41715"
                           xFract="0.99729265"
                           y3="0.08217"
                           yFract="0.00973578"
                           z3="6.35636"
                           zFract="0.28606481"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41849"
                           xFract="0.99745142"
                           y3="2.1135"
                           yFract="0.25041469"
                           z3="4.20366"
                           zFract="0.18918362"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09181"
                           xFract="0.24784479"
                           y3="4.41799"
                           yFract="0.52345853"
                           z3="8.58499"
                           zFract="0.38636319"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08777"
                           xFract="0.24736611"
                           y3="4.20953"
                           yFract="0.49875948"
                           z3="4.28762"
                           zFract="0.1929622"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07133"
                           xFract="0.24541825"
                           y3="6.35248"
                           yFract="0.75266351"
                           z3="6.37588"
                           zFract="0.28694329"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10603"
                           xFract="0.24952962"
                           y3="0.01242"
                           yFract="0.00147156"
                           z3="4.23439"
                           zFract="0.19056661"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27823"
                           xFract="0.50689929"
                           y3="0.00656"
                           yFract="0.00077725"
                           z3="6.33107"
                           zFract="0.28492664"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3725"
                           xFract="0.75503555"
                           y3="2.13622"
                           yFract="0.25310664"
                           z3="6.38616"
                           zFract="0.28740594"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.79399"
                           xFract="0.80497512"
                           y3="4.07197"
                           yFract="0.4824609"
                           z3="8.64819"
                           zFract="0.38920747"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13136"
                           xFract="0.48949763"
                           y3="2.36834"
                           yFract="0.280609"
                           z3="8.50675"
                           zFract="0.38284203"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4334"
                           xFract="0.99921801"
                           y3="6.3135"
                           yFract="0.74804502"
                           z3="4.24663"
                           zFract="0.19111746"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39778"
                           xFract="0.99499763"
                           y3="4.17384"
                           yFract="0.49453081"
                           z3="6.46981"
                           zFract="0.29117057"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20881"
                           xFract="0.49867417"
                           y3="2.11965"
                           yFract="0.25114336"
                           z3="4.24702"
                           zFract="0.19113501"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03429"
                           xFract="0.24102962"
                           y3="2.08079"
                           yFract="0.2465391"
                           z3="6.44655"
                           zFract="0.29012376"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36207"
                           xFract="0.75379976"
                           y3="4.21113"
                           yFract="0.49894905"
                           z3="4.24993"
                           zFract="0.19126598"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.62001"
                           xFract="0.54739455"
                           y3="6.26176"
                           yFract="0.74191469"
                           z3="8.57029"
                           zFract="0.38570162"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27206"
                           xFract="0.50616825"
                           y3="4.21706"
                           yFract="0.49965166"
                           z3="6.46617"
                           zFract="0.29100675"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33431"
                           xFract="0.27657701"
                           y3="-0.10687"
                           yFract="-0.01266232"
                           z3="8.4788"
                           zFract="0.38158416"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27855"
                           xFract="0.74390403"
                           y3="0.56205"
                           yFract="0.0665936"
                           z3="8.49236"
                           zFract="0.38219442"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27199"
                           xFract="0.9800936"
                           y3="2.03061"
                           yFract="0.2405936"
                           z3="6.22304"
                           zFract="0.28006481"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19208"
                           xFract="0.25972512"
                           y3="8.42833"
                           yFract="0.9986173"
                           z3="6.30809"
                           zFract="0.28389244"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01244"
                           xFract="0.00147393"
                           y3="0.01937"
                           yFract="0.00229502"
                           z3="4.25503"
                           zFract="0.1914955"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29875"
                           xFract="0.98326422"
                           y3="0.17759"
                           yFract="0.02104147"
                           z3="8.37364"
                           zFract="0.37685149"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13163"
                           xFract="0.2525628"
                           y3="2.12197"
                           yFract="0.25141825"
                           z3="4.31666"
                           zFract="0.19426913"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13644"
                           xFract="0.2531327"
                           y3="1.83872"
                           yFract="0.21785782"
                           z3="8.51518"
                           zFract="0.38322142"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44342"
                           xFract="0.52647156"
                           y3="2.10881"
                           yFract="0.249859"
                           z3="6.38521"
                           zFract="0.28736319"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33503"
                           xFract="0.75059597"
                           y3="8.33615"
                           yFract="0.9876955"
                           z3="6.29095"
                           zFract="0.28312106"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21765"
                           xFract="0.49972156"
                           y3="8.31691"
                           yFract="0.98541588"
                           z3="4.20039"
                           zFract="0.18903645"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.45174"
                           xFract="0.52745735"
                           y3="-0.20745"
                           yFract="-0.02457938"
                           z3="8.49456"
                           zFract="0.38229343"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28321"
                           xFract="0.74445616"
                           y3="2.07796"
                           yFract="0.24620379"
                           z3="4.04436"
                           zFract="0.1820144"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.9516"
                           xFract="0.82364929"
                           y3="2.2869"
                           yFract="0.27095972"
                           z3="9.23866"
                           zFract="0.41578128"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40786"
                           xFract="0.99619194"
                           y3="6.53264"
                           yFract="0.77400948"
                           z3="6.34408"
                           zFract="0.28551215"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94002"
                           xFract="0.22986019"
                           y3="4.25055"
                           yFract="0.50361967"
                           z3="6.49526"
                           zFract="0.29231593"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03075"
                           xFract="0.00364336"
                           y3="4.19183"
                           yFract="0.49666232"
                           z3="4.13064"
                           zFract="0.18589739"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.82071"
                           xFract="0.09724052"
                           y3="3.60682"
                           yFract="0.42734834"
                           z3="9.82358"
                           zFract="0.44210531"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20863"
                           xFract="0.26168602"
                           y3="6.31959"
                           yFract="0.74876659"
                           z3="4.28546"
                           zFract="0.19286499"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89808"
                           xFract="0.224891"
                           y3="6.43834"
                           yFract="0.76283649"
                           z3="8.47658"
                           zFract="0.38148425"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2452"
                           xFract="0.50298578"
                           y3="6.33089"
                           yFract="0.75010545"
                           z3="6.22177"
                           zFract="0.28000765"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42122"
                           xFract="0.76080806"
                           y3="4.30621"
                           yFract="0.51021445"
                           z3="6.28727"
                           zFract="0.28295545"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18154"
                           xFract="0.49544313"
                           y3="4.3548"
                           yFract="0.51597156"
                           z3="4.2900"
                           zFract="0.19306931"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06668"
                           xFract="0.48183412"
                           y3="4.39134"
                           yFract="0.52030095"
                           z3="8.54894"
                           zFract="0.38474077"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18771"
                           xFract="0.733141"
                           y3="6.36646"
                           yFract="0.75431991"
                           z3="4.20383"
                           zFract="0.18919127"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5927"
                           xFract="0.78112559"
                           y3="5.98506"
                           yFract="0.70913033"
                           z3="8.42356"
                           zFract="0.37909811"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.228">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23183"
                           xFract="0.02746801"
                           y3="3.8616"
                           yFract="0.45753555"
                           z3="10.5523"
                           zFract="0.47490099"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05493"
                           xFract="-0.00650829"
                           y3="6.52499"
                           yFract="0.77310308"
                           z3="8.42864"
                           zFract="0.37932673"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34004"
                           xFract="0.75118957"
                           y3="0.01768"
                           yFract="0.00209479"
                           z3="4.24496"
                           zFract="0.1910423"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30312"
                           xFract="0.03591469"
                           y3="1.93909"
                           yFract="0.22975"
                           z3="9.0396"
                           zFract="0.40682268"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36601"
                           xFract="0.75426659"
                           y3="6.31434"
                           yFract="0.74814455"
                           z3="6.34302"
                           zFract="0.28546445"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20752"
                           xFract="0.49852133"
                           y3="6.33534"
                           yFract="0.7506327"
                           z3="4.22282"
                           zFract="0.1900459"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41684"
                           xFract="0.99725592"
                           y3="0.08221"
                           yFract="0.00974052"
                           z3="6.3571"
                           zFract="0.28609811"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41861"
                           xFract="0.99746564"
                           y3="2.11347"
                           yFract="0.25041114"
                           z3="4.20431"
                           zFract="0.18921287"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09396"
                           xFract="0.24809953"
                           y3="4.41509"
                           yFract="0.52311493"
                           z3="8.58268"
                           zFract="0.38625923"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08785"
                           xFract="0.24737559"
                           y3="4.20925"
                           yFract="0.4987263"
                           z3="4.28628"
                           zFract="0.19290189"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0707"
                           xFract="0.2453436"
                           y3="6.3530"
                           yFract="0.75272512"
                           z3="6.37569"
                           zFract="0.28693474"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10556"
                           xFract="0.24947393"
                           y3="0.01281"
                           yFract="0.00151777"
                           z3="4.23407"
                           zFract="0.19055221"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27815"
                           xFract="0.50688981"
                           y3="0.00668"
                           yFract="0.00079147"
                           z3="6.33062"
                           zFract="0.28490639"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37132"
                           xFract="0.75489573"
                           y3="2.13674"
                           yFract="0.25316825"
                           z3="6.38517"
                           zFract="0.28736139"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.78857"
                           xFract="0.80433294"
                           y3="4.07439"
                           yFract="0.48274763"
                           z3="8.64788"
                           zFract="0.38919352"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13541"
                           xFract="0.48997749"
                           y3="2.3648"
                           yFract="0.28018957"
                           z3="8.50815"
                           zFract="0.38290504"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43222"
                           xFract="0.9990782"
                           y3="6.31375"
                           yFract="0.74807464"
                           z3="4.24698"
                           zFract="0.19113321"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39754"
                           xFract="0.99496919"
                           y3="4.17422"
                           yFract="0.49457583"
                           z3="6.46895"
                           zFract="0.29113186"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20932"
                           xFract="0.4987346"
                           y3="2.11954"
                           yFract="0.25113033"
                           z3="4.24751"
                           zFract="0.19115707"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03408"
                           xFract="0.24100474"
                           y3="2.08055"
                           yFract="0.24651066"
                           z3="6.44682"
                           zFract="0.29013591"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36215"
                           xFract="0.75380924"
                           y3="4.21151"
                           yFract="0.49899408"
                           z3="4.24909"
                           zFract="0.19122817"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.61627"
                           xFract="0.54695142"
                           y3="6.2624"
                           yFract="0.74199052"
                           z3="8.56838"
                           zFract="0.38561566"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27221"
                           xFract="0.50618602"
                           y3="4.21577"
                           yFract="0.49949882"
                           z3="6.4652"
                           zFract="0.2909631"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33012"
                           xFract="0.27608057"
                           y3="-0.10486"
                           yFract="-0.01242417"
                           z3="8.47884"
                           zFract="0.38158596"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27895"
                           xFract="0.74395142"
                           y3="0.55591"
                           yFract="0.06586611"
                           z3="8.49322"
                           zFract="0.38223312"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27178"
                           xFract="0.98006872"
                           y3="2.03074"
                           yFract="0.240609"
                           z3="6.22407"
                           zFract="0.28011116"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19163"
                           xFract="0.2596718"
                           y3="8.42921"
                           yFract="0.99872156"
                           z3="6.30739"
                           zFract="0.28386094"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0119"
                           xFract="0.00140995"
                           y3="0.01942"
                           yFract="0.00230095"
                           z3="4.25519"
                           zFract="0.1915027"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30038"
                           xFract="0.98345735"
                           y3="0.17637"
                           yFract="0.02089692"
                           z3="8.37319"
                           zFract="0.37683123"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13115"
                           xFract="0.25250592"
                           y3="2.1219"
                           yFract="0.25140995"
                           z3="4.31624"
                           zFract="0.19425023"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1338"
                           xFract="0.25281991"
                           y3="1.84228"
                           yFract="0.21827962"
                           z3="8.51616"
                           zFract="0.38326553"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44148"
                           xFract="0.52624171"
                           y3="2.10889"
                           yFract="0.24986848"
                           z3="6.38468"
                           zFract="0.28733933"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33513"
                           xFract="0.75060782"
                           y3="8.3372"
                           yFract="0.98781991"
                           z3="6.29193"
                           zFract="0.28316517"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21734"
                           xFract="0.49968483"
                           y3="8.3172"
                           yFract="0.98545024"
                           z3="4.20065"
                           zFract="0.18904815"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.44876"
                           xFract="0.52710427"
                           y3="-0.20588"
                           yFract="-0.02439336"
                           z3="8.49294"
                           zFract="0.38222052"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28389"
                           xFract="0.74453673"
                           y3="2.0775"
                           yFract="0.24614929"
                           z3="4.04537"
                           zFract="0.18205986"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.94573"
                           xFract="0.82295379"
                           y3="2.28648"
                           yFract="0.27090995"
                           z3="9.23498"
                           zFract="0.41561566"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40814"
                           xFract="0.99622512"
                           y3="6.53104"
                           yFract="0.77381991"
                           z3="6.34339"
                           zFract="0.2854811"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93964"
                           xFract="0.22981517"
                           y3="4.24902"
                           yFract="0.50343839"
                           z3="6.49492"
                           zFract="0.29230063"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03034"
                           xFract="0.00359479"
                           y3="4.19165"
                           yFract="0.496641"
                           z3="4.12994"
                           zFract="0.18586589"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.80837"
                           xFract="0.09577844"
                           y3="3.61513"
                           yFract="0.42833294"
                           z3="9.8141"
                           zFract="0.44167867"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20798"
                           xFract="0.261609"
                           y3="6.31971"
                           yFract="0.74878081"
                           z3="4.28583"
                           zFract="0.19288164"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89796"
                           xFract="0.22487678"
                           y3="6.43746"
                           yFract="0.76273223"
                           z3="8.4762"
                           zFract="0.38146715"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24448"
                           xFract="0.50290047"
                           y3="6.33111"
                           yFract="0.75013152"
                           z3="6.22226"
                           zFract="0.2800297"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42161"
                           xFract="0.76085427"
                           y3="4.30718"
                           yFract="0.51032938"
                           z3="6.28782"
                           zFract="0.2829802"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18197"
                           xFract="0.49549408"
                           y3="4.35508"
                           yFract="0.51600474"
                           z3="4.29095"
                           zFract="0.19311206"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06892"
                           xFract="0.48209953"
                           y3="4.38898"
                           yFract="0.52002133"
                           z3="8.54754"
                           zFract="0.38467777"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18779"
                           xFract="0.73315047"
                           y3="6.36684"
                           yFract="0.75436493"
                           z3="4.20434"
                           zFract="0.18921422"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59074"
                           xFract="0.78089336"
                           y3="5.98939"
                           yFract="0.70964336"
                           z3="8.42505"
                           zFract="0.37916517"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.229">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23105"
                           xFract="0.02737559"
                           y3="3.86147"
                           yFract="0.45752014"
                           z3="10.55198"
                           zFract="0.47488659"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05503"
                           xFract="-0.00652014"
                           y3="6.52536"
                           yFract="0.77314692"
                           z3="8.42847"
                           zFract="0.37931908"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3401"
                           xFract="0.75119668"
                           y3="0.01773"
                           yFract="0.00210071"
                           z3="4.24498"
                           zFract="0.1910432"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30324"
                           xFract="0.03592891"
                           y3="1.93856"
                           yFract="0.2296872"
                           z3="9.04026"
                           zFract="0.40685239"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36616"
                           xFract="0.75428436"
                           y3="6.31409"
                           yFract="0.74811493"
                           z3="6.34281"
                           zFract="0.285455"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20758"
                           xFract="0.49852844"
                           y3="6.3354"
                           yFract="0.75063981"
                           z3="4.22284"
                           zFract="0.1900468"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4169"
                           xFract="0.99726303"
                           y3="0.0822"
                           yFract="0.00973934"
                           z3="6.35694"
                           zFract="0.28609091"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41859"
                           xFract="0.99746327"
                           y3="2.11348"
                           yFract="0.25041232"
                           z3="4.20417"
                           zFract="0.18920657"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0935"
                           xFract="0.24804502"
                           y3="4.41571"
                           yFract="0.52318839"
                           z3="8.58317"
                           zFract="0.38628128"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08784"
                           xFract="0.24737441"
                           y3="4.20931"
                           yFract="0.49873341"
                           z3="4.28657"
                           zFract="0.19291494"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07084"
                           xFract="0.24536019"
                           y3="6.35289"
                           yFract="0.75271209"
                           z3="6.37573"
                           zFract="0.28693654"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10566"
                           xFract="0.24948578"
                           y3="0.01273"
                           yFract="0.00150829"
                           z3="4.23414"
                           zFract="0.19055536"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27816"
                           xFract="0.506891"
                           y3="0.00665"
                           yFract="0.00078791"
                           z3="6.33072"
                           zFract="0.28491089"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37157"
                           xFract="0.75492536"
                           y3="2.13663"
                           yFract="0.25315521"
                           z3="6.38538"
                           zFract="0.28737084"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.78973"
                           xFract="0.80447038"
                           y3="4.07388"
                           yFract="0.4826872"
                           z3="8.64795"
                           zFract="0.38919667"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13455"
                           xFract="0.48987559"
                           y3="2.36556"
                           yFract="0.28027962"
                           z3="8.50785"
                           zFract="0.38289154"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43247"
                           xFract="0.99910782"
                           y3="6.31369"
                           yFract="0.74806754"
                           z3="4.2469"
                           zFract="0.19112961"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39759"
                           xFract="0.99497512"
                           y3="4.17414"
                           yFract="0.49456635"
                           z3="6.46913"
                           zFract="0.29113996"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20921"
                           xFract="0.49872156"
                           y3="2.11956"
                           yFract="0.2511327"
                           z3="4.2474"
                           zFract="0.19115212"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03412"
                           xFract="0.24100948"
                           y3="2.0806"
                           yFract="0.24651659"
                           z3="6.44676"
                           zFract="0.29013321"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36213"
                           xFract="0.75380687"
                           y3="4.21142"
                           yFract="0.49898341"
                           z3="4.24927"
                           zFract="0.19123627"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.61707"
                           xFract="0.54704621"
                           y3="6.26226"
                           yFract="0.74197393"
                           z3="8.56879"
                           zFract="0.38563411"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27218"
                           xFract="0.50618246"
                           y3="4.21604"
                           yFract="0.49953081"
                           z3="6.4654"
                           zFract="0.2909721"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33102"
                           xFract="0.2761872"
                           y3="-0.10529"
                           yFract="-0.01247512"
                           z3="8.47883"
                           zFract="0.38158551"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27887"
                           xFract="0.74394194"
                           y3="0.55723"
                           yFract="0.06602251"
                           z3="8.49303"
                           zFract="0.38222457"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27182"
                           xFract="0.98007346"
                           y3="2.03071"
                           yFract="0.24060545"
                           z3="6.22385"
                           zFract="0.28010126"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19173"
                           xFract="0.25968365"
                           y3="8.42902"
                           yFract="0.99869905"
                           z3="6.30754"
                           zFract="0.28386769"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01201"
                           xFract="0.00142299"
                           y3="0.01941"
                           yFract="0.00229976"
                           z3="4.25515"
                           zFract="0.1915009"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30003"
                           xFract="0.98341588"
                           y3="0.17663"
                           yFract="0.02092773"
                           z3="8.37328"
                           zFract="0.37683528"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13125"
                           xFract="0.25251777"
                           y3="2.12191"
                           yFract="0.25141114"
                           z3="4.31633"
                           zFract="0.19425428"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13436"
                           xFract="0.25288626"
                           y3="1.84152"
                           yFract="0.21818957"
                           z3="8.51595"
                           zFract="0.38325608"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44189"
                           xFract="0.52629028"
                           y3="2.10887"
                           yFract="0.24986611"
                           z3="6.38479"
                           zFract="0.28734428"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33511"
                           xFract="0.75060545"
                           y3="8.33698"
                           yFract="0.98779384"
                           z3="6.29172"
                           zFract="0.28315572"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21741"
                           xFract="0.49969313"
                           y3="8.31714"
                           yFract="0.98544313"
                           z3="4.20059"
                           zFract="0.18904545"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.44939"
                           xFract="0.52717891"
                           y3="-0.20621"
                           yFract="-0.02443246"
                           z3="8.49329"
                           zFract="0.38223627"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28375"
                           xFract="0.74452014"
                           y3="2.0776"
                           yFract="0.24616114"
                           z3="4.04516"
                           zFract="0.18205041"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.94699"
                           xFract="0.82310308"
                           y3="2.28657"
                           yFract="0.27092062"
                           z3="9.23577"
                           zFract="0.41565122"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40808"
                           xFract="0.99621801"
                           y3="6.53138"
                           yFract="0.77386019"
                           z3="6.34354"
                           zFract="0.28548785"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93972"
                           xFract="0.22982464"
                           y3="4.24934"
                           yFract="0.5034763"
                           z3="6.49499"
                           zFract="0.29230378"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03043"
                           xFract="0.00360545"
                           y3="4.19169"
                           yFract="0.49664573"
                           z3="4.13009"
                           zFract="0.18587264"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.81101"
                           xFract="0.09609123"
                           y3="3.61335"
                           yFract="0.42812204"
                           z3="9.81613"
                           zFract="0.44177003"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20812"
                           xFract="0.26162559"
                           y3="6.31968"
                           yFract="0.74877725"
                           z3="4.28575"
                           zFract="0.19287804"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89799"
                           xFract="0.22488033"
                           y3="6.43765"
                           yFract="0.76275474"
                           z3="8.47628"
                           zFract="0.38147075"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24464"
                           xFract="0.50291943"
                           y3="6.33106"
                           yFract="0.75012559"
                           z3="6.22215"
                           zFract="0.28002475"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42152"
                           xFract="0.7608436"
                           y3="4.30698"
                           yFract="0.51030569"
                           z3="6.2877"
                           zFract="0.2829748"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18188"
                           xFract="0.49548341"
                           y3="4.35502"
                           yFract="0.51599763"
                           z3="4.29074"
                           zFract="0.19310261"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06844"
                           xFract="0.48204265"
                           y3="4.38949"
                           yFract="0.52008175"
                           z3="8.54784"
                           zFract="0.38469127"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18777"
                           xFract="0.7331481"
                           y3="6.36676"
                           yFract="0.75435545"
                           z3="4.20423"
                           zFract="0.18920927"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59116"
                           xFract="0.78094313"
                           y3="5.98846"
                           yFract="0.70953318"
                           z3="8.42473"
                           zFract="0.37915077"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.230">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.2296"
                           xFract="0.02720379"
                           y3="3.86122"
                           yFract="0.45749052"
                           z3="10.55138"
                           zFract="0.47485959"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0552"
                           xFract="-0.00654028"
                           y3="6.52603"
                           yFract="0.7732263"
                           z3="8.42815"
                           zFract="0.37930468"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34021"
                           xFract="0.75120972"
                           y3="0.01783"
                           yFract="0.00211256"
                           z3="4.24503"
                           zFract="0.19104545"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30345"
                           xFract="0.03595379"
                           y3="1.93759"
                           yFract="0.22957227"
                           z3="9.04146"
                           zFract="0.40690639"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36643"
                           xFract="0.75431635"
                           y3="6.31363"
                           yFract="0.74806043"
                           z3="6.34242"
                           zFract="0.28543744"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2077"
                           xFract="0.49854265"
                           y3="6.33551"
                           yFract="0.75065284"
                           z3="4.22288"
                           zFract="0.1900486"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41703"
                           xFract="0.99727844"
                           y3="0.08218"
                           yFract="0.00973697"
                           z3="6.35665"
                           zFract="0.28607786"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41854"
                           xFract="0.99745735"
                           y3="2.11349"
                           yFract="0.25041351"
                           z3="4.20392"
                           zFract="0.18919532"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09265"
                           xFract="0.24794431"
                           y3="4.41685"
                           yFract="0.52332346"
                           z3="8.58408"
                           zFract="0.38632223"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08781"
                           xFract="0.24737085"
                           y3="4.20942"
                           yFract="0.49874645"
                           z3="4.28709"
                           zFract="0.19293834"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07108"
                           xFract="0.24538863"
                           y3="6.35268"
                           yFract="0.7526872"
                           z3="6.3758"
                           zFract="0.28693969"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10585"
                           xFract="0.24950829"
                           y3="0.01257"
                           yFract="0.00148934"
                           z3="4.23427"
                           zFract="0.19056121"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2782"
                           xFract="0.50689573"
                           y3="0.0066"
                           yFract="0.00078199"
                           z3="6.33089"
                           zFract="0.28491854"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37204"
                           xFract="0.75498104"
                           y3="2.13643"
                           yFract="0.25313152"
                           z3="6.38577"
                           zFract="0.28738839"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.79186"
                           xFract="0.80472275"
                           y3="4.07292"
                           yFract="0.48257346"
                           z3="8.64807"
                           zFract="0.38920207"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13295"
                           xFract="0.48968602"
                           y3="2.36695"
                           yFract="0.28044431"
                           z3="8.5073"
                           zFract="0.38286679"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43294"
                           xFract="0.99916351"
                           y3="6.31359"
                           yFract="0.74805569"
                           z3="4.24676"
                           zFract="0.19112331"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39769"
                           xFract="0.99498697"
                           y3="4.17399"
                           yFract="0.49454858"
                           z3="6.46947"
                           zFract="0.29115527"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20901"
                           xFract="0.49869787"
                           y3="2.11961"
                           yFract="0.25113863"
                           z3="4.24721"
                           zFract="0.19114356"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03421"
                           xFract="0.24102014"
                           y3="2.0807"
                           yFract="0.24652844"
                           z3="6.44666"
                           zFract="0.29012871"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3621"
                           xFract="0.75380332"
                           y3="4.21127"
                           yFract="0.49896564"
                           z3="4.2496"
                           zFract="0.19125113"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.61854"
                           xFract="0.54722038"
                           y3="6.26201"
                           yFract="0.74194431"
                           z3="8.56954"
                           zFract="0.38566787"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27212"
                           xFract="0.50617536"
                           y3="4.21655"
                           yFract="0.49959123"
                           z3="6.46579"
                           zFract="0.29098965"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33266"
                           xFract="0.27638152"
                           y3="-0.10608"
                           yFract="-0.01256872"
                           z3="8.47881"
                           zFract="0.38158461"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27871"
                           xFract="0.74392299"
                           y3="0.55964"
                           yFract="0.06630806"
                           z3="8.4927"
                           zFract="0.38220972"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27191"
                           xFract="0.98008412"
                           y3="2.03066"
                           yFract="0.24059953"
                           z3="6.22345"
                           zFract="0.28008326"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19191"
                           xFract="0.25970498"
                           y3="8.42867"
                           yFract="0.99865758"
                           z3="6.30781"
                           zFract="0.28387984"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01223"
                           xFract="0.00144905"
                           y3="0.01939"
                           yFract="0.00229739"
                           z3="4.25509"
                           zFract="0.1914982"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29939"
                           xFract="0.98334005"
                           y3="0.17711"
                           yFract="0.0209846"
                           z3="8.37346"
                           zFract="0.37684338"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13144"
                           xFract="0.25254028"
                           y3="2.12194"
                           yFract="0.25141469"
                           z3="4.3165"
                           zFract="0.19426193"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1354"
                           xFract="0.25300948"
                           y3="1.84012"
                           yFract="0.2180237"
                           z3="8.51557"
                           zFract="0.38323897"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44265"
                           xFract="0.52638033"
                           y3="2.10884"
                           yFract="0.24986256"
                           z3="6.3850"
                           zFract="0.28735374"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33507"
                           xFract="0.75060071"
                           y3="8.33656"
                           yFract="0.98774408"
                           z3="6.29133"
                           zFract="0.28313816"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21753"
                           xFract="0.49970735"
                           y3="8.31703"
                           yFract="0.98543009"
                           z3="4.20049"
                           zFract="0.18904095"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.45056"
                           xFract="0.52731754"
                           y3="-0.20683"
                           yFract="-0.02450592"
                           z3="8.49393"
                           zFract="0.38226508"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28348"
                           xFract="0.74448815"
                           y3="2.07778"
                           yFract="0.24618246"
                           z3="4.04476"
                           zFract="0.1820324"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.94929"
                           xFract="0.82337559"
                           y3="2.28673"
                           yFract="0.27093957"
                           z3="9.23722"
                           zFract="0.41571647"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40797"
                           xFract="0.99620498"
                           y3="6.53201"
                           yFract="0.77393483"
                           z3="6.34381"
                           zFract="0.2855"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93987"
                           xFract="0.22984242"
                           y3="4.24995"
                           yFract="0.50354858"
                           z3="6.49512"
                           zFract="0.29230963"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03059"
                           xFract="0.00362441"
                           y3="4.19176"
                           yFract="0.49665403"
                           z3="4.13036"
                           zFract="0.18588479"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.81586"
                           xFract="0.09666588"
                           y3="3.61009"
                           yFract="0.42773578"
                           z3="9.81985"
                           zFract="0.44193744"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20837"
                           xFract="0.26165521"
                           y3="6.31963"
                           yFract="0.74877133"
                           z3="4.2856"
                           zFract="0.19287129"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89803"
                           xFract="0.22488507"
                           y3="6.43799"
                           yFract="0.76279502"
                           z3="8.47643"
                           zFract="0.3814775"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24492"
                           xFract="0.50295261"
                           y3="6.33098"
                           yFract="0.75011611"
                           z3="6.22196"
                           zFract="0.2800162"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42137"
                           xFract="0.76082583"
                           y3="4.3066"
                           yFract="0.51026066"
                           z3="6.28748"
                           zFract="0.2829649"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18171"
                           xFract="0.49546327"
                           y3="4.35491"
                           yFract="0.5159846"
                           z3="4.29037"
                           zFract="0.19308596"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06756"
                           xFract="0.48193839"
                           y3="4.39041"
                           yFract="0.52019076"
                           z3="8.54839"
                           zFract="0.38471602"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18774"
                           xFract="0.73314455"
                           y3="6.36661"
                           yFract="0.75433768"
                           z3="4.20403"
                           zFract="0.18920027"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59193"
                           xFract="0.78103436"
                           y3="5.98676"
                           yFract="0.70933175"
                           z3="8.42415"
                           zFract="0.37912466"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.231">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23044"
                           xFract="0.02730332"
                           y3="3.86136"
                           yFract="0.45750711"
                           z3="10.55172"
                           zFract="0.47487489"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0551"
                           xFract="-0.00652844"
                           y3="6.52564"
                           yFract="0.77318009"
                           z3="8.42833"
                           zFract="0.37931278"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34014"
                           xFract="0.75120142"
                           y3="0.01777"
                           yFract="0.00210545"
                           z3="4.2450"
                           zFract="0.1910441"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30333"
                           xFract="0.03593957"
                           y3="1.93816"
                           yFract="0.22963981"
                           z3="9.04077"
                           zFract="0.40687534"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36627"
                           xFract="0.75429739"
                           y3="6.3139"
                           yFract="0.74809242"
                           z3="6.34264"
                           zFract="0.28544734"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20763"
                           xFract="0.49853436"
                           y3="6.33544"
                           yFract="0.75064455"
                           z3="4.22286"
                           zFract="0.1900477"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41696"
                           xFract="0.99727014"
                           y3="0.08219"
                           yFract="0.00973815"
                           z3="6.35682"
                           zFract="0.28608551"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41857"
                           xFract="0.9974609"
                           y3="2.11348"
                           yFract="0.25041232"
                           z3="4.20407"
                           zFract="0.18920207"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09314"
                           xFract="0.24800237"
                           y3="4.41619"
                           yFract="0.52324526"
                           z3="8.58356"
                           zFract="0.38629883"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08782"
                           xFract="0.24737204"
                           y3="4.20936"
                           yFract="0.49873934"
                           z3="4.28679"
                           zFract="0.19292484"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07094"
                           xFract="0.24537204"
                           y3="6.3528"
                           yFract="0.75270142"
                           z3="6.37576"
                           zFract="0.28693789"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10574"
                           xFract="0.24949526"
                           y3="0.01266"
                           yFract="0.0015"
                           z3="4.23419"
                           zFract="0.19055761"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27818"
                           xFract="0.50689336"
                           y3="0.00663"
                           yFract="0.00078555"
                           z3="6.33079"
                           zFract="0.28491404"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37177"
                           xFract="0.75494905"
                           y3="2.13654"
                           yFract="0.25314455"
                           z3="6.38554"
                           zFract="0.28737804"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.79063"
                           xFract="0.80457701"
                           y3="4.07348"
                           yFract="0.48263981"
                           z3="8.6480"
                           zFract="0.38919892"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13387"
                           xFract="0.48979502"
                           y3="2.36614"
                           yFract="0.28034834"
                           z3="8.50762"
                           zFract="0.38288119"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43267"
                           xFract="0.99913152"
                           y3="6.31365"
                           yFract="0.7480628"
                           z3="4.24684"
                           zFract="0.19112691"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39763"
                           xFract="0.99497986"
                           y3="4.17408"
                           yFract="0.49455924"
                           z3="6.46927"
                           zFract="0.29114626"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20913"
                           xFract="0.49871209"
                           y3="2.11958"
                           yFract="0.25113507"
                           z3="4.24732"
                           zFract="0.19114851"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03416"
                           xFract="0.24101422"
                           y3="2.08064"
                           yFract="0.24652133"
                           z3="6.44672"
                           zFract="0.29013141"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36212"
                           xFract="0.75380569"
                           y3="4.21136"
                           yFract="0.4989763"
                           z3="4.24941"
                           zFract="0.19124257"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.61769"
                           xFract="0.54711967"
                           y3="6.26216"
                           yFract="0.74196209"
                           z3="8.56911"
                           zFract="0.38564851"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27216"
                           xFract="0.50618009"
                           y3="4.21626"
                           yFract="0.49955687"
                           z3="6.46557"
                           zFract="0.29097975"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33171"
                           xFract="0.27626896"
                           y3="-0.10562"
                           yFract="-0.01251422"
                           z3="8.47882"
                           zFract="0.38158506"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2788"
                           xFract="0.74393365"
                           y3="0.55824"
                           yFract="0.06614218"
                           z3="8.49289"
                           zFract="0.38221827"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27186"
                           xFract="0.9800782"
                           y3="2.03069"
                           yFract="0.24060308"
                           z3="6.22368"
                           zFract="0.28009361"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1918"
                           xFract="0.25969194"
                           y3="8.42887"
                           yFract="0.99868128"
                           z3="6.30766"
                           zFract="0.28387309"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0121"
                           xFract="0.00143365"
                           y3="0.0194"
                           yFract="0.00229858"
                           z3="4.25513"
                           zFract="0.1915"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29976"
                           xFract="0.98338389"
                           y3="0.17683"
                           yFract="0.02095142"
                           z3="8.37336"
                           zFract="0.37683888"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13133"
                           xFract="0.25252725"
                           y3="2.12193"
                           yFract="0.25141351"
                           z3="4.3164"
                           zFract="0.19425743"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1348"
                           xFract="0.25293839"
                           y3="1.84093"
                           yFract="0.21811967"
                           z3="8.51579"
                           zFract="0.38324887"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44221"
                           xFract="0.5263282"
                           y3="2.10886"
                           yFract="0.24986493"
                           z3="6.38488"
                           zFract="0.28734833"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33509"
                           xFract="0.75060308"
                           y3="8.3368"
                           yFract="0.98777251"
                           z3="6.29156"
                           zFract="0.28314851"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21746"
                           xFract="0.49969905"
                           y3="8.31709"
                           yFract="0.9854372"
                           z3="4.20055"
                           zFract="0.18904365"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.44989"
                           xFract="0.52723815"
                           y3="-0.20647"
                           yFract="-0.02446327"
                           z3="8.49356"
                           zFract="0.38224842"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28363"
                           xFract="0.74450592"
                           y3="2.07767"
                           yFract="0.24616943"
                           z3="4.04499"
                           zFract="0.18204275"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.94796"
                           xFract="0.82321801"
                           y3="2.28664"
                           yFract="0.27092891"
                           z3="9.23638"
                           zFract="0.41567867"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40804"
                           xFract="0.99621327"
                           y3="6.53165"
                           yFract="0.77389218"
                           z3="6.34365"
                           zFract="0.2854928"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93979"
                           xFract="0.22983294"
                           y3="4.2496"
                           yFract="0.50350711"
                           z3="6.49505"
                           zFract="0.29230648"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03049"
                           xFract="0.00361256"
                           y3="4.19172"
                           yFract="0.49664929"
                           z3="4.1302"
                           zFract="0.18587759"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.81305"
                           xFract="0.09633294"
                           y3="3.61198"
                           yFract="0.42795972"
                           z3="9.8177"
                           zFract="0.44184068"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20822"
                           xFract="0.26163744"
                           y3="6.31966"
                           yFract="0.74877488"
                           z3="4.28569"
                           zFract="0.19287534"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89801"
                           xFract="0.2248827"
                           y3="6.43779"
                           yFract="0.76277133"
                           z3="8.47634"
                           zFract="0.38147345"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24475"
                           xFract="0.50293246"
                           y3="6.33103"
                           yFract="0.75012204"
                           z3="6.22207"
                           zFract="0.28002115"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42146"
                           xFract="0.76083649"
                           y3="4.30682"
                           yFract="0.51028673"
                           z3="6.28761"
                           zFract="0.28297075"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18181"
                           xFract="0.49547512"
                           y3="4.35497"
                           yFract="0.51599171"
                           z3="4.29059"
                           zFract="0.19309586"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06807"
                           xFract="0.48199882"
                           y3="4.38988"
                           yFract="0.52012796"
                           z3="8.54807"
                           zFract="0.38470162"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18776"
                           xFract="0.73314692"
                           y3="6.36669"
                           yFract="0.75434716"
                           z3="4.20415"
                           zFract="0.18920567"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59148"
                           xFract="0.78098104"
                           y3="5.98774"
                           yFract="0.70944787"
                           z3="8.42449"
                           zFract="0.37913996"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.232">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23078"
                           xFract="0.0273436"
                           y3="3.86142"
                           yFract="0.45751422"
                           z3="10.55187"
                           zFract="0.47488164"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05506"
                           xFract="-0.0065237"
                           y3="6.52548"
                           yFract="0.77316114"
                           z3="8.42841"
                           zFract="0.37931638"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34012"
                           xFract="0.75119905"
                           y3="0.01775"
                           yFract="0.00210308"
                           z3="4.24499"
                           zFract="0.19104365"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30328"
                           xFract="0.03593365"
                           y3="1.93839"
                           yFract="0.22966706"
                           z3="9.04048"
                           zFract="0.40686229"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36621"
                           xFract="0.75429028"
                           y3="6.31401"
                           yFract="0.74810545"
                           z3="6.34274"
                           zFract="0.28545185"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2076"
                           xFract="0.49853081"
                           y3="6.33542"
                           yFract="0.75064218"
                           z3="4.22285"
                           zFract="0.19004725"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41693"
                           xFract="0.99726659"
                           y3="0.0822"
                           yFract="0.00973934"
                           z3="6.35689"
                           zFract="0.28608866"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41858"
                           xFract="0.99746209"
                           y3="2.11348"
                           yFract="0.25041232"
                           z3="4.20413"
                           zFract="0.18920477"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09334"
                           xFract="0.24802607"
                           y3="4.41592"
                           yFract="0.52321327"
                           z3="8.58334"
                           zFract="0.38628893"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08783"
                           xFract="0.24737322"
                           y3="4.20933"
                           yFract="0.49873578"
                           z3="4.28666"
                           zFract="0.19291899"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07088"
                           xFract="0.24536493"
                           y3="6.35285"
                           yFract="0.75270735"
                           z3="6.37574"
                           zFract="0.28693699"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1057"
                           xFract="0.24949052"
                           y3="0.0127"
                           yFract="0.00150474"
                           z3="4.23416"
                           zFract="0.19055626"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27817"
                           xFract="0.50689218"
                           y3="0.00664"
                           yFract="0.00078673"
                           z3="6.33075"
                           zFract="0.28491224"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37166"
                           xFract="0.75493602"
                           y3="2.13659"
                           yFract="0.25315047"
                           z3="6.38545"
                           zFract="0.28737399"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.79012"
                           xFract="0.80451659"
                           y3="4.0737"
                           yFract="0.48266588"
                           z3="8.64797"
                           zFract="0.38919757"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13425"
                           xFract="0.48984005"
                           y3="2.36581"
                           yFract="0.28030924"
                           z3="8.50775"
                           zFract="0.38288704"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43256"
                           xFract="0.99911848"
                           y3="6.31368"
                           yFract="0.74806635"
                           z3="4.24688"
                           zFract="0.19112871"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39761"
                           xFract="0.99497749"
                           y3="4.17411"
                           yFract="0.4945628"
                           z3="6.46919"
                           zFract="0.29114266"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20918"
                           xFract="0.49871801"
                           y3="2.11957"
                           yFract="0.25113389"
                           z3="4.24737"
                           zFract="0.19115077"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03414"
                           xFract="0.24101185"
                           y3="2.08062"
                           yFract="0.24651896"
                           z3="6.44674"
                           zFract="0.29013231"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36213"
                           xFract="0.75380687"
                           y3="4.2114"
                           yFract="0.49898104"
                           z3="4.24933"
                           zFract="0.19123897"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.61734"
                           xFract="0.5470782"
                           y3="6.26222"
                           yFract="0.74196919"
                           z3="8.56893"
                           zFract="0.38564041"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27217"
                           xFract="0.50618128"
                           y3="4.21614"
                           yFract="0.49954265"
                           z3="6.46547"
                           zFract="0.29097525"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33132"
                           xFract="0.27622275"
                           y3="-0.10543"
                           yFract="-0.01249171"
                           z3="8.47883"
                           zFract="0.38158551"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27884"
                           xFract="0.74393839"
                           y3="0.55767"
                           yFract="0.06607464"
                           z3="8.49297"
                           zFract="0.38222187"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27184"
                           xFract="0.98007583"
                           y3="2.0307"
                           yFract="0.24060427"
                           z3="6.22378"
                           zFract="0.28009811"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19176"
                           xFract="0.2596872"
                           y3="8.42896"
                           yFract="0.99869194"
                           z3="6.30759"
                           zFract="0.28386994"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01205"
                           xFract="0.00142773"
                           y3="0.0194"
                           yFract="0.00229858"
                           z3="4.25514"
                           zFract="0.19150045"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29991"
                           xFract="0.98340166"
                           y3="0.17672"
                           yFract="0.02093839"
                           z3="8.37331"
                           zFract="0.37683663"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13129"
                           xFract="0.25252251"
                           y3="2.12192"
                           yFract="0.25141232"
                           z3="4.31636"
                           zFract="0.19425563"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13455"
                           xFract="0.25290877"
                           y3="1.84126"
                           yFract="0.21815877"
                           z3="8.51588"
                           zFract="0.38325293"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44203"
                           xFract="0.52630687"
                           y3="2.10887"
                           yFract="0.24986611"
                           z3="6.38483"
                           zFract="0.28734608"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3351"
                           xFract="0.75060427"
                           y3="8.3369"
                           yFract="0.98778436"
                           z3="6.29165"
                           zFract="0.28315257"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21743"
                           xFract="0.4996955"
                           y3="8.31712"
                           yFract="0.98544076"
                           z3="4.20057"
                           zFract="0.18904455"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.44961"
                           xFract="0.52720498"
                           y3="-0.20633"
                           yFract="-0.02444668"
                           z3="8.4934"
                           zFract="0.38224122"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2837"
                           xFract="0.74451422"
                           y3="2.07763"
                           yFract="0.24616469"
                           z3="4.04508"
                           zFract="0.1820468"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.94741"
                           xFract="0.82315284"
                           y3="2.2866"
                           yFract="0.27092417"
                           z3="9.23604"
                           zFract="0.41566337"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40806"
                           xFract="0.99621564"
                           y3="6.5315"
                           yFract="0.77387441"
                           z3="6.34359"
                           zFract="0.2854901"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93975"
                           xFract="0.2298282"
                           y3="4.24945"
                           yFract="0.50348934"
                           z3="6.49501"
                           zFract="0.29230468"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03046"
                           xFract="0.003609"
                           y3="4.1917"
                           yFract="0.49664692"
                           z3="4.13014"
                           zFract="0.18587489"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.8119"
                           xFract="0.09619668"
                           y3="3.61275"
                           yFract="0.42805095"
                           z3="9.81681"
                           zFract="0.44180063"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20816"
                           xFract="0.26163033"
                           y3="6.31967"
                           yFract="0.74877607"
                           z3="4.28572"
                           zFract="0.19287669"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89799"
                           xFract="0.22488033"
                           y3="6.43771"
                           yFract="0.76276185"
                           z3="8.47631"
                           zFract="0.3814721"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24469"
                           xFract="0.50292536"
                           y3="6.33105"
                           yFract="0.75012441"
                           z3="6.22212"
                           zFract="0.2800234"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4215"
                           xFract="0.76084123"
                           y3="4.30691"
                           yFract="0.51029739"
                           z3="6.28766"
                           zFract="0.282973"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18185"
                           xFract="0.49547986"
                           y3="4.3550"
                           yFract="0.51599526"
                           z3="4.29068"
                           zFract="0.19309991"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06828"
                           xFract="0.4820237"
                           y3="4.38966"
                           yFract="0.5201019"
                           z3="8.54794"
                           zFract="0.38469577"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18777"
                           xFract="0.7331481"
                           y3="6.36673"
                           yFract="0.7543519"
                           z3="4.20419"
                           zFract="0.18920747"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5913"
                           xFract="0.78095972"
                           y3="5.98815"
                           yFract="0.70949645"
                           z3="8.42462"
                           zFract="0.37914581"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.233">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.23092"
                           xFract="0.02736019"
                           y3="3.86145"
                           yFract="0.45751777"
                           z3="10.55192"
                           zFract="0.47488389"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05504"
                           xFract="-0.00652133"
                           y3="6.52541"
                           yFract="0.77315284"
                           z3="8.42844"
                           zFract="0.37931773"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34011"
                           xFract="0.75119787"
                           y3="0.01774"
                           yFract="0.0021019"
                           z3="4.24499"
                           zFract="0.19104365"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30326"
                           xFract="0.03593128"
                           y3="1.93848"
                           yFract="0.22967773"
                           z3="9.04036"
                           zFract="0.40685689"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36618"
                           xFract="0.75428673"
                           y3="6.31405"
                           yFract="0.74811019"
                           z3="6.34277"
                           zFract="0.2854532"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20759"
                           xFract="0.49852962"
                           y3="6.33541"
                           yFract="0.750641"
                           z3="4.22285"
                           zFract="0.19004725"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41692"
                           xFract="0.9972654"
                           y3="0.0822"
                           yFract="0.00973934"
                           z3="6.35692"
                           zFract="0.28609001"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41858"
                           xFract="0.99746209"
                           y3="2.11348"
                           yFract="0.25041232"
                           z3="4.20415"
                           zFract="0.18920567"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09343"
                           xFract="0.24803673"
                           y3="4.41581"
                           yFract="0.52320024"
                           z3="8.58325"
                           zFract="0.38628488"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08783"
                           xFract="0.24737322"
                           y3="4.20932"
                           yFract="0.4987346"
                           z3="4.28661"
                           zFract="0.19291674"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07086"
                           xFract="0.24536256"
                           y3="6.35287"
                           yFract="0.75270972"
                           z3="6.37573"
                           zFract="0.28693654"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10568"
                           xFract="0.24948815"
                           y3="0.01271"
                           yFract="0.00150592"
                           z3="4.23415"
                           zFract="0.19055581"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27817"
                           xFract="0.50689218"
                           y3="0.00665"
                           yFract="0.00078791"
                           z3="6.33073"
                           zFract="0.28491134"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37161"
                           xFract="0.75493009"
                           y3="2.13661"
                           yFract="0.25315284"
                           z3="6.38541"
                           zFract="0.28737219"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.78992"
                           xFract="0.80449289"
                           y3="4.07379"
                           yFract="0.48267654"
                           z3="8.64796"
                           zFract="0.38919712"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1344"
                           xFract="0.48985782"
                           y3="2.36568"
                           yFract="0.28029384"
                           z3="8.5078"
                           zFract="0.38288929"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43251"
                           xFract="0.99911256"
                           y3="6.31369"
                           yFract="0.74806754"
                           z3="4.24689"
                           zFract="0.19112916"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3976"
                           xFract="0.9949763"
                           y3="4.17413"
                           yFract="0.49456517"
                           z3="6.46916"
                           zFract="0.29114131"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20919"
                           xFract="0.49871919"
                           y3="2.11957"
                           yFract="0.25113389"
                           z3="4.24739"
                           zFract="0.19115167"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03413"
                           xFract="0.24101066"
                           y3="2.08061"
                           yFract="0.24651777"
                           z3="6.44675"
                           zFract="0.29013276"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36213"
                           xFract="0.75380687"
                           y3="4.21141"
                           yFract="0.49898223"
                           z3="4.2493"
                           zFract="0.19123762"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6172"
                           xFract="0.54706161"
                           y3="6.26224"
                           yFract="0.74197156"
                           z3="8.56886"
                           zFract="0.38563726"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27218"
                           xFract="0.50618246"
                           y3="4.21609"
                           yFract="0.49953673"
                           z3="6.46544"
                           zFract="0.2909739"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33116"
                           xFract="0.27620379"
                           y3="-0.10536"
                           yFract="-0.01248341"
                           z3="8.47883"
                           zFract="0.38158551"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27885"
                           xFract="0.74393957"
                           y3="0.55744"
                           yFract="0.06604739"
                           z3="8.4930"
                           zFract="0.38222322"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27183"
                           xFract="0.98007464"
                           y3="2.03071"
                           yFract="0.24060545"
                           z3="6.22382"
                           zFract="0.28009991"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19174"
                           xFract="0.25968483"
                           y3="8.42899"
                           yFract="0.9986955"
                           z3="6.30757"
                           zFract="0.28386904"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01203"
                           xFract="0.00142536"
                           y3="0.0194"
                           yFract="0.00229858"
                           z3="4.25515"
                           zFract="0.1915009"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29997"
                           xFract="0.98340877"
                           y3="0.17667"
                           yFract="0.02093246"
                           z3="8.3733"
                           zFract="0.37683618"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13127"
                           xFract="0.25252014"
                           y3="2.12192"
                           yFract="0.25141232"
                           z3="4.31635"
                           zFract="0.19425518"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13445"
                           xFract="0.25289692"
                           y3="1.84139"
                           yFract="0.21817417"
                           z3="8.51592"
                           zFract="0.38325473"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44196"
                           xFract="0.52629858"
                           y3="2.10887"
                           yFract="0.24986611"
                           z3="6.38481"
                           zFract="0.28734518"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33511"
                           xFract="0.75060545"
                           y3="8.33694"
                           yFract="0.9877891"
                           z3="6.29169"
                           zFract="0.28315437"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21742"
                           xFract="0.49969431"
                           y3="8.31713"
                           yFract="0.98544194"
                           z3="4.20058"
                           zFract="0.189045"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.4495"
                           xFract="0.52719194"
                           y3="-0.20627"
                           yFract="-0.02443957"
                           z3="8.49334"
                           zFract="0.38223852"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28372"
                           xFract="0.74451659"
                           y3="2.07761"
                           yFract="0.24616232"
                           z3="4.04512"
                           zFract="0.1820486"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.94719"
                           xFract="0.82312678"
                           y3="2.28659"
                           yFract="0.27092299"
                           z3="9.2359"
                           zFract="0.41565707"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40807"
                           xFract="0.99621682"
                           y3="6.53144"
                           yFract="0.7738673"
                           z3="6.34356"
                           zFract="0.28548875"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93974"
                           xFract="0.22982701"
                           y3="4.2494"
                           yFract="0.50348341"
                           z3="6.4950"
                           zFract="0.29230423"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03044"
                           xFract="0.00360664"
                           y3="4.1917"
                           yFract="0.49664692"
                           z3="4.13011"
                           zFract="0.18587354"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.81144"
                           xFract="0.09614218"
                           y3="3.61306"
                           yFract="0.42808768"
                           z3="9.81646"
                           zFract="0.44178488"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20814"
                           xFract="0.26162796"
                           y3="6.31968"
                           yFract="0.74877725"
                           z3="4.28574"
                           zFract="0.19287759"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89799"
                           xFract="0.22488033"
                           y3="6.43768"
                           yFract="0.76275829"
                           z3="8.47629"
                           zFract="0.3814712"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24466"
                           xFract="0.5029218"
                           y3="6.33106"
                           yFract="0.75012559"
                           z3="6.22214"
                           zFract="0.2800243"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42151"
                           xFract="0.76084242"
                           y3="4.30694"
                           yFract="0.51030095"
                           z3="6.28768"
                           zFract="0.2829739"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18187"
                           xFract="0.49548223"
                           y3="4.35501"
                           yFract="0.51599645"
                           z3="4.29071"
                           zFract="0.19310126"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06837"
                           xFract="0.48203436"
                           y3="4.38957"
                           yFract="0.52009123"
                           z3="8.54789"
                           zFract="0.38469352"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18777"
                           xFract="0.7331481"
                           y3="6.36674"
                           yFract="0.75435308"
                           z3="4.20421"
                           zFract="0.18920837"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59123"
                           xFract="0.78095142"
                           y3="5.98831"
                           yFract="0.7095154"
                           z3="8.42468"
                           zFract="0.37914851"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.234">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.22923"
                           xFract="0.02715995"
                           y3="3.86169"
                           yFract="0.45754621"
                           z3="10.55113"
                           zFract="0.47484833"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05486"
                           xFract="-0.0065"
                           y3="6.52606"
                           yFract="0.77322986"
                           z3="8.42822"
                           zFract="0.37930783"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34019"
                           xFract="0.75120735"
                           y3="0.01773"
                           yFract="0.00210071"
                           z3="4.24497"
                           zFract="0.19104275"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.30561"
                           xFract="0.03620972"
                           y3="1.93782"
                           yFract="0.22959953"
                           z3="9.04139"
                           zFract="0.40690324"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36638"
                           xFract="0.75431043"
                           y3="6.31378"
                           yFract="0.7480782"
                           z3="6.34246"
                           zFract="0.28543924"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20758"
                           xFract="0.49852844"
                           y3="6.33513"
                           yFract="0.75060782"
                           z3="4.22268"
                           zFract="0.1900396"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41681"
                           xFract="0.99725237"
                           y3="0.08245"
                           yFract="0.00976896"
                           z3="6.35721"
                           zFract="0.28610306"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41864"
                           xFract="0.99746919"
                           y3="2.11352"
                           yFract="0.25041706"
                           z3="4.20373"
                           zFract="0.18918677"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09287"
                           xFract="0.24797038"
                           y3="4.41678"
                           yFract="0.52331517"
                           z3="8.58398"
                           zFract="0.38631773"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08787"
                           xFract="0.24737796"
                           y3="4.2093"
                           yFract="0.49873223"
                           z3="4.28682"
                           zFract="0.19292619"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07103"
                           xFract="0.2453827"
                           y3="6.35289"
                           yFract="0.75271209"
                           z3="6.37587"
                           zFract="0.28694284"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10584"
                           xFract="0.24950711"
                           y3="0.01262"
                           yFract="0.00149526"
                           z3="4.23418"
                           zFract="0.19055716"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27843"
                           xFract="0.50692299"
                           y3="0.00652"
                           yFract="0.00077251"
                           z3="6.33092"
                           zFract="0.28491989"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37189"
                           xFract="0.75496327"
                           y3="2.13656"
                           yFract="0.25314692"
                           z3="6.38547"
                           zFract="0.28737489"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.79165"
                           xFract="0.80469787"
                           y3="4.0731"
                           yFract="0.48259479"
                           z3="8.64821"
                           zFract="0.38920837"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13286"
                           xFract="0.48967536"
                           y3="2.36696"
                           yFract="0.2804455"
                           z3="8.50732"
                           zFract="0.38286769"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43282"
                           xFract="0.99914929"
                           y3="6.3136"
                           yFract="0.74805687"
                           z3="4.24694"
                           zFract="0.19113141"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39768"
                           xFract="0.99498578"
                           y3="4.1739"
                           yFract="0.49453791"
                           z3="6.46953"
                           zFract="0.29115797"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20927"
                           xFract="0.49872867"
                           y3="2.11964"
                           yFract="0.25114218"
                           z3="4.2473"
                           zFract="0.19114761"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03414"
                           xFract="0.24101185"
                           y3="2.0806"
                           yFract="0.24651659"
                           z3="6.4468"
                           zFract="0.29013501"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36214"
                           xFract="0.75380806"
                           y3="4.21125"
                           yFract="0.49896327"
                           z3="4.24926"
                           zFract="0.19123582"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.61848"
                           xFract="0.54721327"
                           y3="6.26247"
                           yFract="0.74199882"
                           z3="8.56965"
                           zFract="0.38567282"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27214"
                           xFract="0.50617773"
                           y3="4.21634"
                           yFract="0.49956635"
                           z3="6.46586"
                           zFract="0.2909928"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33269"
                           xFract="0.27638507"
                           y3="-0.10578"
                           yFract="-0.01253318"
                           z3="8.47904"
                           zFract="0.38159496"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27843"
                           xFract="0.74388981"
                           y3="0.55939"
                           yFract="0.06627844"
                           z3="8.49294"
                           zFract="0.38222052"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27224"
                           xFract="0.98012322"
                           y3="2.03045"
                           yFract="0.24057464"
                           z3="6.22357"
                           zFract="0.28008866"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19201"
                           xFract="0.25971682"
                           y3="8.42869"
                           yFract="0.99865995"
                           z3="6.30757"
                           zFract="0.28386904"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01207"
                           xFract="0.00143009"
                           y3="0.01931"
                           yFract="0.00228791"
                           z3="4.25512"
                           zFract="0.19149955"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2994"
                           xFract="0.98334123"
                           y3="0.17698"
                           yFract="0.02096919"
                           z3="8.37306"
                           zFract="0.37682538"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13134"
                           xFract="0.25252844"
                           y3="2.12191"
                           yFract="0.25141114"
                           z3="4.31662"
                           zFract="0.19426733"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1345"
                           xFract="0.25290284"
                           y3="1.83994"
                           yFract="0.21800237"
                           z3="8.51554"
                           zFract="0.38323762"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44239"
                           xFract="0.52634953"
                           y3="2.10889"
                           yFract="0.24986848"
                           z3="6.38478"
                           zFract="0.28734383"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33516"
                           xFract="0.75061137"
                           y3="8.33648"
                           yFract="0.9877346"
                           z3="6.29119"
                           zFract="0.28313186"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21751"
                           xFract="0.49970498"
                           y3="8.31719"
                           yFract="0.98544905"
                           z3="4.20072"
                           zFract="0.18905131"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.4506"
                           xFract="0.52732227"
                           y3="-0.20693"
                           yFract="-0.02451777"
                           z3="8.49375"
                           zFract="0.38225698"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2835"
                           xFract="0.74449052"
                           y3="2.07761"
                           yFract="0.24616232"
                           z3="4.04507"
                           zFract="0.18204635"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.94897"
                           xFract="0.82333768"
                           y3="2.2870"
                           yFract="0.27097156"
                           z3="9.23765"
                           zFract="0.41573582"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40817"
                           xFract="0.99622867"
                           y3="6.53181"
                           yFract="0.77391114"
                           z3="6.34368"
                           zFract="0.28549415"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9399"
                           xFract="0.22984597"
                           y3="4.24965"
                           yFract="0.50351303"
                           z3="6.49522"
                           zFract="0.29231413"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03046"
                           xFract="0.003609"
                           y3="4.19187"
                           yFract="0.49666706"
                           z3="4.13027"
                           zFract="0.18588074"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.81599"
                           xFract="0.09668128"
                           y3="3.60933"
                           yFract="0.42764573"
                           z3="9.82003"
                           zFract="0.44194554"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2084"
                           xFract="0.26165877"
                           y3="6.31973"
                           yFract="0.74878318"
                           z3="4.28574"
                           zFract="0.19287759"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89765"
                           xFract="0.22484005"
                           y3="6.43791"
                           yFract="0.76278555"
                           z3="8.47644"
                           zFract="0.38147795"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24497"
                           xFract="0.50295853"
                           y3="6.33099"
                           yFract="0.7501173"
                           z3="6.22188"
                           zFract="0.2800126"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42139"
                           xFract="0.7608282"
                           y3="4.30659"
                           yFract="0.51025948"
                           z3="6.28747"
                           zFract="0.28296445"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18184"
                           xFract="0.49547867"
                           y3="4.35505"
                           yFract="0.51600118"
                           z3="4.29067"
                           zFract="0.19309946"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06752"
                           xFract="0.48193365"
                           y3="4.39014"
                           yFract="0.52015877"
                           z3="8.54823"
                           zFract="0.38470882"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18788"
                           xFract="0.73316114"
                           y3="6.36669"
                           yFract="0.75434716"
                           z3="4.20414"
                           zFract="0.18920522"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.5919"
                           xFract="0.78103081"
                           y3="5.98688"
                           yFract="0.70934597"
                           z3="8.42418"
                           zFract="0.37912601"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.235">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.22415"
                           xFract="0.02655806"
                           y3="3.86242"
                           yFract="0.4576327"
                           z3="10.54875"
                           zFract="0.47474122"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05429"
                           xFract="-0.00643246"
                           y3="6.52801"
                           yFract="0.7734609"
                           z3="8.42754"
                           zFract="0.37927723"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34042"
                           xFract="0.7512346"
                           y3="0.0177"
                           yFract="0.00209716"
                           z3="4.24493"
                           zFract="0.19104095"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.31266"
                           xFract="0.03704502"
                           y3="1.93584"
                           yFract="0.22936493"
                           z3="9.04447"
                           zFract="0.40704185"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36699"
                           xFract="0.7543827"
                           y3="6.31297"
                           yFract="0.74798223"
                           z3="6.34151"
                           zFract="0.28539649"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20754"
                           xFract="0.4985237"
                           y3="6.33431"
                           yFract="0.75051066"
                           z3="4.22219"
                           zFract="0.19001755"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41648"
                           xFract="0.99721327"
                           y3="0.0832"
                           yFract="0.00985782"
                           z3="6.35807"
                           zFract="0.28614176"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4188"
                           xFract="0.99748815"
                           y3="2.11363"
                           yFract="0.25043009"
                           z3="4.20247"
                           zFract="0.18913006"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09119"
                           xFract="0.24777133"
                           y3="4.4197"
                           yFract="0.52366114"
                           z3="8.58615"
                           zFract="0.38641539"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08796"
                           xFract="0.24738863"
                           y3="4.20923"
                           yFract="0.49872393"
                           z3="4.28745"
                           zFract="0.19295455"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07156"
                           xFract="0.2454455"
                           y3="6.35295"
                           yFract="0.75271919"
                           z3="6.37627"
                           zFract="0.28696085"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10634"
                           xFract="0.24956635"
                           y3="0.01234"
                           yFract="0.00146209"
                           z3="4.23426"
                           zFract="0.19056076"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27924"
                           xFract="0.50701896"
                           y3="0.00615"
                           yFract="0.00072867"
                           z3="6.33148"
                           zFract="0.28494509"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37273"
                           xFract="0.7550628"
                           y3="2.13642"
                           yFract="0.25313033"
                           z3="6.38563"
                           zFract="0.28738209"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.79684"
                           xFract="0.8053128"
                           y3="4.07103"
                           yFract="0.48234953"
                           z3="8.64895"
                           zFract="0.38924167"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12823"
                           xFract="0.48912678"
                           y3="2.37081"
                           yFract="0.28090166"
                           z3="8.50587"
                           zFract="0.38280243"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43374"
                           xFract="0.99925829"
                           y3="6.31336"
                           yFract="0.74802844"
                           z3="4.24708"
                           zFract="0.19113771"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39792"
                           xFract="0.99501422"
                           y3="4.17321"
                           yFract="0.49445616"
                           z3="6.47066"
                           zFract="0.29120882"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20948"
                           xFract="0.49875355"
                           y3="2.11987"
                           yFract="0.25116943"
                           z3="4.24704"
                           zFract="0.19113591"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03415"
                           xFract="0.24101303"
                           y3="2.08057"
                           yFract="0.24651303"
                           z3="6.44693"
                           zFract="0.29014086"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36216"
                           xFract="0.75381043"
                           y3="4.21077"
                           yFract="0.4989064"
                           z3="4.24915"
                           zFract="0.19123087"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.62231"
                           xFract="0.54766706"
                           y3="6.26315"
                           yFract="0.74207938"
                           z3="8.57201"
                           zFract="0.38577903"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27202"
                           xFract="0.50616351"
                           y3="4.21708"
                           yFract="0.49965403"
                           z3="6.46711"
                           zFract="0.29104905"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.33729"
                           xFract="0.27693009"
                           y3="-0.10704"
                           yFract="-0.01268246"
                           z3="8.47968"
                           zFract="0.38162376"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27718"
                           xFract="0.74374171"
                           y3="0.56526"
                           yFract="0.06697393"
                           z3="8.49276"
                           zFract="0.38221242"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27345"
                           xFract="0.98026659"
                           y3="2.02968"
                           yFract="0.24048341"
                           z3="6.22283"
                           zFract="0.28005536"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19282"
                           xFract="0.2598128"
                           y3="8.42777"
                           yFract="0.99855095"
                           z3="6.3076"
                           zFract="0.28387039"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0122"
                           xFract="0.0014455"
                           y3="0.01902"
                           yFract="0.00225355"
                           z3="4.25502"
                           zFract="0.19149505"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29768"
                           xFract="0.98313744"
                           y3="0.17789"
                           yFract="0.02107701"
                           z3="8.37235"
                           zFract="0.37679343"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13157"
                           xFract="0.25255569"
                           y3="2.1219"
                           yFract="0.25140995"
                           z3="4.31744"
                           zFract="0.19430423"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13462"
                           xFract="0.25291706"
                           y3="1.83556"
                           yFract="0.21748341"
                           z3="8.51442"
                           zFract="0.38318722"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4437"
                           xFract="0.52650474"
                           y3="2.10897"
                           yFract="0.24987796"
                           z3="6.38467"
                           zFract="0.28733888"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33534"
                           xFract="0.7506327"
                           y3="8.33511"
                           yFract="0.98757227"
                           z3="6.28971"
                           zFract="0.28306526"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21777"
                           xFract="0.49973578"
                           y3="8.31736"
                           yFract="0.98546919"
                           z3="4.20112"
                           zFract="0.18906931"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.45392"
                           xFract="0.52771564"
                           y3="-0.20892"
                           yFract="-0.02475355"
                           z3="8.49498"
                           zFract="0.38231233"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28282"
                           xFract="0.74440995"
                           y3="2.0776"
                           yFract="0.24616114"
                           z3="4.04492"
                           zFract="0.1820396"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.9543"
                           xFract="0.82396919"
                           y3="2.28826"
                           yFract="0.27112085"
                           z3="9.24289"
                           zFract="0.41597165"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40845"
                           xFract="0.99626185"
                           y3="6.53292"
                           yFract="0.77404265"
                           z3="6.34405"
                           zFract="0.2855108"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9404"
                           xFract="0.22990521"
                           y3="4.25041"
                           yFract="0.50360308"
                           z3="6.49587"
                           zFract="0.29234338"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0305"
                           xFract="0.00361374"
                           y3="4.19238"
                           yFract="0.49672749"
                           z3="4.13075"
                           zFract="0.18590234"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.82965"
                           xFract="0.09829976"
                           y3="3.59811"
                           yFract="0.42631635"
                           z3="9.83075"
                           zFract="0.44242799"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20918"
                           xFract="0.26175118"
                           y3="6.3199"
                           yFract="0.74880332"
                           z3="4.28575"
                           zFract="0.19287804"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89663"
                           xFract="0.22471919"
                           y3="6.4386"
                           yFract="0.7628673"
                           z3="8.47689"
                           zFract="0.3814982"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24589"
                           xFract="0.50306754"
                           y3="6.33077"
                           yFract="0.75009123"
                           z3="6.22111"
                           zFract="0.27997795"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42104"
                           xFract="0.76078673"
                           y3="4.30552"
                           yFract="0.5101327"
                           z3="6.28685"
                           zFract="0.28293654"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18175"
                           xFract="0.49546801"
                           y3="4.35516"
                           yFract="0.51601422"
                           z3="4.29054"
                           zFract="0.19309361"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.0650"
                           xFract="0.48163507"
                           y3="4.39187"
                           yFract="0.52036374"
                           z3="8.54925"
                           zFract="0.38475473"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1882"
                           xFract="0.73319905"
                           y3="6.36652"
                           yFract="0.75432701"
                           z3="4.20393"
                           zFract="0.18919577"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59391"
                           xFract="0.78126896"
                           y3="5.9826"
                           yFract="0.70883886"
                           z3="8.42267"
                           zFract="0.37905806"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.236">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21399"
                           xFract="0.02535427"
                           y3="3.86389"
                           yFract="0.45780687"
                           z3="10.54398"
                           zFract="0.47452655"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05317"
                           xFract="-0.00629976"
                           y3="6.5319"
                           yFract="0.7739218"
                           z3="8.4262"
                           zFract="0.37921692"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34089"
                           xFract="0.75129028"
                           y3="0.01764"
                           yFract="0.00209005"
                           z3="4.24484"
                           zFract="0.1910369"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.32677"
                           xFract="0.03871682"
                           y3="1.93188"
                           yFract="0.22889573"
                           z3="9.05063"
                           zFract="0.40731908"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3682"
                           xFract="0.75452607"
                           y3="6.31136"
                           yFract="0.74779147"
                           z3="6.33962"
                           zFract="0.28531143"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20746"
                           xFract="0.49851422"
                           y3="6.33267"
                           yFract="0.75031635"
                           z3="4.22121"
                           zFract="0.18997345"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41582"
                           xFract="0.99713507"
                           y3="0.0847"
                           yFract="0.01003555"
                           z3="6.3598"
                           zFract="0.28621962"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41913"
                           xFract="0.99752725"
                           y3="2.11386"
                           yFract="0.25045735"
                           z3="4.19995"
                           zFract="0.18901665"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08783"
                           xFract="0.24737322"
                           y3="4.42553"
                           yFract="0.5243519"
                           z3="8.59048"
                           zFract="0.38661026"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08815"
                           xFract="0.24741114"
                           y3="4.2091"
                           yFract="0.49870853"
                           z3="4.28871"
                           zFract="0.19301125"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0726"
                           xFract="0.24556872"
                           y3="6.35308"
                           yFract="0.7527346"
                           z3="6.37707"
                           zFract="0.28699685"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10734"
                           xFract="0.24968483"
                           y3="0.01179"
                           yFract="0.00139692"
                           z3="4.23444"
                           zFract="0.19056886"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28084"
                           xFract="0.50720853"
                           y3="0.0054"
                           yFract="0.00063981"
                           z3="6.3326"
                           zFract="0.2849955"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37441"
                           xFract="0.75526185"
                           y3="2.13613"
                           yFract="0.25309597"
                           z3="6.38595"
                           zFract="0.28739649"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80723"
                           xFract="0.80654384"
                           y3="4.06688"
                           yFract="0.48185782"
                           z3="8.65043"
                           zFract="0.38930828"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11896"
                           xFract="0.48802844"
                           y3="2.3785"
                           yFract="0.2818128"
                           z3="8.50298"
                           zFract="0.38267237"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43558"
                           xFract="0.9994763"
                           y3="6.31286"
                           yFract="0.74796919"
                           z3="4.24736"
                           zFract="0.19115032"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39841"
                           xFract="0.99507227"
                           y3="4.17184"
                           yFract="0.49429384"
                           z3="6.47291"
                           zFract="0.29131008"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20991"
                           xFract="0.4988045"
                           y3="2.12033"
                           yFract="0.25122393"
                           z3="4.24651"
                           zFract="0.19111206"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03419"
                           xFract="0.24101777"
                           y3="2.08052"
                           yFract="0.24650711"
                           z3="6.4472"
                           zFract="0.29015302"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3622"
                           xFract="0.75381517"
                           y3="4.2098"
                           yFract="0.49879147"
                           z3="4.24892"
                           zFract="0.19122052"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.62998"
                           xFract="0.54857583"
                           y3="6.26451"
                           yFract="0.74224052"
                           z3="8.57675"
                           zFract="0.38599235"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2718"
                           xFract="0.50613744"
                           y3="4.21856"
                           yFract="0.49982938"
                           z3="6.46963"
                           zFract="0.29116247"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.34648"
                           xFract="0.27801896"
                           y3="-0.10956"
                           yFract="-0.01298104"
                           z3="8.48097"
                           zFract="0.38168182"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27466"
                           xFract="0.74344313"
                           y3="0.5770"
                           yFract="0.06836493"
                           z3="8.49238"
                           zFract="0.38219532"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27588"
                           xFract="0.9805545"
                           y3="2.02813"
                           yFract="0.24029976"
                           z3="6.22135"
                           zFract="0.27998875"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19443"
                           xFract="0.26000355"
                           y3="8.42594"
                           yFract="0.99833412"
                           z3="6.30765"
                           zFract="0.28387264"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01246"
                           xFract="0.0014763"
                           y3="0.01843"
                           yFract="0.00218365"
                           z3="4.25482"
                           zFract="0.19148605"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29424"
                           xFract="0.98272986"
                           y3="0.17973"
                           yFract="0.02129502"
                           z3="8.37093"
                           zFract="0.37672952"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13201"
                           xFract="0.25260782"
                           y3="2.12188"
                           yFract="0.25140758"
                           z3="4.31907"
                           zFract="0.19437759"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13487"
                           xFract="0.25294668"
                           y3="1.82682"
                           yFract="0.21644787"
                           z3="8.51218"
                           zFract="0.38308641"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44632"
                           xFract="0.52681517"
                           y3="2.10913"
                           yFract="0.24989692"
                           z3="6.38445"
                           zFract="0.28732898"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33568"
                           xFract="0.75067299"
                           y3="8.33237"
                           yFract="0.98724763"
                           z3="6.28675"
                           zFract="0.28293204"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21829"
                           xFract="0.49979739"
                           y3="8.3177"
                           yFract="0.98550948"
                           z3="4.20194"
                           zFract="0.18910621"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46054"
                           xFract="0.5285"
                           y3="-0.21291"
                           yFract="-0.0252263"
                           z3="8.49744"
                           zFract="0.38242304"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28147"
                           xFract="0.74425"
                           y3="2.07759"
                           yFract="0.24615995"
                           z3="4.04461"
                           zFract="0.18202565"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.96496"
                           xFract="0.82523223"
                           y3="2.29077"
                           yFract="0.27141825"
                           z3="9.25337"
                           zFract="0.41644329"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4090"
                           xFract="0.99632701"
                           y3="6.53515"
                           yFract="0.77430687"
                           z3="6.34478"
                           zFract="0.28554365"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9414"
                           xFract="0.2300237"
                           y3="4.25193"
                           yFract="0.50378318"
                           z3="6.49718"
                           zFract="0.29240234"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03059"
                           xFract="0.00362441"
                           y3="4.1934"
                           yFract="0.49684834"
                           z3="4.1317"
                           zFract="0.18594509"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.85696"
                           xFract="0.10153555"
                           y3="3.57568"
                           yFract="0.42365877"
                           z3="9.85218"
                           zFract="0.44339244"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21075"
                           xFract="0.2619372"
                           y3="6.32023"
                           yFract="0.74884242"
                           z3="4.28577"
                           zFract="0.19287894"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8946"
                           xFract="0.22447867"
                           y3="6.43997"
                           yFract="0.76302962"
                           z3="8.47778"
                           zFract="0.38153825"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24773"
                           xFract="0.50328555"
                           y3="6.33034"
                           yFract="0.75004028"
                           z3="6.21958"
                           zFract="0.27990909"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42034"
                           xFract="0.76070379"
                           y3="4.3034"
                           yFract="0.50988152"
                           z3="6.28561"
                           zFract="0.28288074"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18158"
                           xFract="0.49544787"
                           y3="4.35539"
                           yFract="0.51604147"
                           z3="4.29028"
                           zFract="0.19308191"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05995"
                           xFract="0.48103673"
                           y3="4.39532"
                           yFract="0.52077251"
                           z3="8.5513"
                           zFract="0.38484698"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18884"
                           xFract="0.73327488"
                           y3="6.36618"
                           yFract="0.75428673"
                           z3="4.20349"
                           zFract="0.18917597"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59793"
                           xFract="0.78174526"
                           y3="5.97405"
                           yFract="0.70782583"
                           z3="8.41966"
                           zFract="0.37892259"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.237">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.22049"
                           xFract="0.02612441"
                           y3="3.86295"
                           yFract="0.4576955"
                           z3="10.54703"
                           zFract="0.47466382"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05389"
                           xFract="-0.00638507"
                           y3="6.52941"
                           yFract="0.77362678"
                           z3="8.42706"
                           zFract="0.37925563"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34059"
                           xFract="0.75125474"
                           y3="0.01768"
                           yFract="0.00209479"
                           z3="4.24489"
                           zFract="0.19103915"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.31774"
                           xFract="0.03764692"
                           y3="1.93441"
                           yFract="0.2291955"
                           z3="9.04669"
                           zFract="0.40714176"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36743"
                           xFract="0.75443483"
                           y3="6.31239"
                           yFract="0.74791351"
                           z3="6.34083"
                           zFract="0.28536589"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20751"
                           xFract="0.49852014"
                           y3="6.33372"
                           yFract="0.75044076"
                           z3="4.22184"
                           zFract="0.1900018"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41624"
                           xFract="0.99718483"
                           y3="0.08374"
                           yFract="0.0099218"
                           z3="6.35869"
                           zFract="0.28616967"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41892"
                           xFract="0.99750237"
                           y3="2.11372"
                           yFract="0.25044076"
                           z3="4.20156"
                           zFract="0.18908911"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08998"
                           xFract="0.24762796"
                           y3="4.4218"
                           yFract="0.52390995"
                           z3="8.58771"
                           zFract="0.3864856"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08803"
                           xFract="0.24739692"
                           y3="4.20918"
                           yFract="0.49871801"
                           z3="4.28791"
                           zFract="0.19297525"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07193"
                           xFract="0.24548934"
                           y3="6.3530"
                           yFract="0.75272512"
                           z3="6.37656"
                           zFract="0.2869739"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1067"
                           xFract="0.249609"
                           y3="0.01214"
                           yFract="0.00143839"
                           z3="4.23433"
                           zFract="0.19056391"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.27981"
                           xFract="0.50708649"
                           y3="0.00588"
                           yFract="0.00069668"
                           z3="6.33189"
                           zFract="0.28496355"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37333"
                           xFract="0.75513389"
                           y3="2.13631"
                           yFract="0.2531173"
                           z3="6.38575"
                           zFract="0.28738749"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80059"
                           xFract="0.80575711"
                           y3="4.06953"
                           yFract="0.4821718"
                           z3="8.64948"
                           zFract="0.38926553"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12489"
                           xFract="0.48873104"
                           y3="2.37358"
                           yFract="0.28122986"
                           z3="8.50483"
                           zFract="0.38275563"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4344"
                           xFract="0.99933649"
                           y3="6.31318"
                           yFract="0.74800711"
                           z3="4.24718"
                           zFract="0.19114221"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3981"
                           xFract="0.99503555"
                           y3="4.17272"
                           yFract="0.4943981"
                           z3="6.47147"
                           zFract="0.29124527"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20963"
                           xFract="0.49877133"
                           y3="2.12004"
                           yFract="0.25118957"
                           z3="4.24685"
                           zFract="0.19112736"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03417"
                           xFract="0.2410154"
                           y3="2.08055"
                           yFract="0.24651066"
                           z3="6.44703"
                           zFract="0.29014536"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36217"
                           xFract="0.75381161"
                           y3="4.21042"
                           yFract="0.49886493"
                           z3="4.24906"
                           zFract="0.19122682"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.62508"
                           xFract="0.54799526"
                           y3="6.26364"
                           yFract="0.74213744"
                           z3="8.57372"
                           zFract="0.38585599"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27194"
                           xFract="0.50615403"
                           y3="4.21761"
                           yFract="0.49971682"
                           z3="6.46802"
                           zFract="0.29109001"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.3406"
                           xFract="0.27732227"
                           y3="-0.10795"
                           yFract="-0.01279028"
                           z3="8.48015"
                           zFract="0.38164491"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27627"
                           xFract="0.74363389"
                           y3="0.56949"
                           yFract="0.06747512"
                           z3="8.49262"
                           zFract="0.38220612"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27433"
                           xFract="0.98037085"
                           y3="2.02912"
                           yFract="0.24041706"
                           z3="6.2223"
                           zFract="0.2800315"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1934"
                           xFract="0.25988152"
                           y3="8.42711"
                           yFract="0.99847275"
                           z3="6.30762"
                           zFract="0.28387129"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0123"
                           xFract="0.00145735"
                           y3="0.01881"
                           yFract="0.00222867"
                           z3="4.25495"
                           zFract="0.1914919"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29644"
                           xFract="0.98299052"
                           y3="0.17855"
                           yFract="0.02115521"
                           z3="8.37184"
                           zFract="0.37677048"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13172"
                           xFract="0.25257346"
                           y3="2.1219"
                           yFract="0.25140995"
                           z3="4.31803"
                           zFract="0.19433078"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13471"
                           xFract="0.25292773"
                           y3="1.83241"
                           yFract="0.21711019"
                           z3="8.51362"
                           zFract="0.38315122"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44464"
                           xFract="0.52661611"
                           y3="2.10903"
                           yFract="0.24988507"
                           z3="6.38459"
                           zFract="0.28733528"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33546"
                           xFract="0.75064692"
                           y3="8.33412"
                           yFract="0.98745498"
                           z3="6.28864"
                           zFract="0.2830171"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21796"
                           xFract="0.49975829"
                           y3="8.31748"
                           yFract="0.98548341"
                           z3="4.20142"
                           zFract="0.18908281"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.4563"
                           xFract="0.52799763"
                           y3="-0.21036"
                           yFract="-0.02492417"
                           z3="8.49587"
                           zFract="0.38235239"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28234"
                           xFract="0.74435308"
                           y3="2.0776"
                           yFract="0.24616114"
                           z3="4.04481"
                           zFract="0.18203465"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.95814"
                           xFract="0.82442417"
                           y3="2.28917"
                           yFract="0.27122867"
                           z3="9.24667"
                           zFract="0.41614176"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40865"
                           xFract="0.99628555"
                           y3="6.53372"
                           yFract="0.77413744"
                           z3="6.34431"
                           zFract="0.2855225"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94076"
                           xFract="0.22994787"
                           y3="4.25096"
                           yFract="0.50366825"
                           z3="6.49634"
                           zFract="0.29236454"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03054"
                           xFract="0.00361848"
                           y3="4.19275"
                           yFract="0.49677133"
                           z3="4.13109"
                           zFract="0.18591764"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.83949"
                           xFract="0.09946564"
                           y3="3.59003"
                           yFract="0.425359"
                           z3="9.83847"
                           zFract="0.44277543"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20975"
                           xFract="0.26181872"
                           y3="6.32001"
                           yFract="0.74881635"
                           z3="4.28575"
                           zFract="0.19287804"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8959"
                           xFract="0.2246327"
                           y3="6.43909"
                           yFract="0.76292536"
                           z3="8.47721"
                           zFract="0.3815126"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24655"
                           xFract="0.50314573"
                           y3="6.33062"
                           yFract="0.75007346"
                           z3="6.22056"
                           zFract="0.2799532"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42079"
                           xFract="0.76075711"
                           y3="4.30476"
                           yFract="0.51004265"
                           z3="6.2864"
                           zFract="0.28291629"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18169"
                           xFract="0.4954609"
                           y3="4.35524"
                           yFract="0.5160237"
                           z3="4.29044"
                           zFract="0.19308911"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06318"
                           xFract="0.48141943"
                           y3="4.39311"
                           yFract="0.52051066"
                           z3="8.54999"
                           zFract="0.38478803"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18843"
                           xFract="0.7332263"
                           y3="6.3664"
                           yFract="0.7543128"
                           z3="4.20377"
                           zFract="0.18918857"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59536"
                           xFract="0.78144076"
                           y3="5.97952"
                           yFract="0.70847393"
                           z3="8.42159"
                           zFract="0.37900945"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.238">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21967"
                           xFract="0.02602725"
                           y3="3.86296"
                           yFract="0.45769668"
                           z3="10.54474"
                           zFract="0.47456076"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05367"
                           xFract="-0.006359"
                           y3="6.53003"
                           yFract="0.77370024"
                           z3="8.42686"
                           zFract="0.37924662"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34065"
                           xFract="0.75126185"
                           y3="0.01759"
                           yFract="0.00208412"
                           z3="4.24484"
                           zFract="0.1910369"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.32063"
                           xFract="0.03798934"
                           y3="1.93372"
                           yFract="0.22911374"
                           z3="9.04773"
                           zFract="0.40718857"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3676"
                           xFract="0.75445498"
                           y3="6.31217"
                           yFract="0.74788744"
                           z3="6.34054"
                           zFract="0.28535284"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20749"
                           xFract="0.49851777"
                           y3="6.33337"
                           yFract="0.75039929"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41603"
                           xFract="0.99715995"
                           y3="0.08408"
                           yFract="0.00996209"
                           z3="6.35921"
                           zFract="0.28619307"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41903"
                           xFract="0.9975154"
                           y3="2.11374"
                           yFract="0.25044313"
                           z3="4.20111"
                           zFract="0.18906886"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08948"
                           xFract="0.24756872"
                           y3="4.42276"
                           yFract="0.5240237"
                           z3="8.58837"
                           zFract="0.3865153"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0881"
                           xFract="0.24740521"
                           y3="4.2091"
                           yFract="0.49870853"
                           z3="4.28797"
                           zFract="0.19297795"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07208"
                           xFract="0.24550711"
                           y3="6.35314"
                           yFract="0.75274171"
                           z3="6.3767"
                           zFract="0.2869802"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10686"
                           xFract="0.24962796"
                           y3="0.01209"
                           yFract="0.00143246"
                           z3="4.23434"
                           zFract="0.19056436"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28022"
                           xFract="0.50713507"
                           y3="0.0057"
                           yFract="0.00067536"
                           z3="6.33202"
                           zFract="0.2849694"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37358"
                           xFract="0.75516351"
                           y3="2.13635"
                           yFract="0.25312204"
                           z3="6.38561"
                           zFract="0.28738119"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80219"
                           xFract="0.80594668"
                           y3="4.06897"
                           yFract="0.48210545"
                           z3="8.64983"
                           zFract="0.38928128"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12331"
                           xFract="0.48854384"
                           y3="2.3749"
                           yFract="0.28138626"
                           z3="8.50435"
                           zFract="0.38273402"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43462"
                           xFract="0.99936256"
                           y3="6.31313"
                           yFract="0.74800118"
                           z3="4.24733"
                           zFract="0.19114896"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39818"
                           xFract="0.99504502"
                           y3="4.17244"
                           yFract="0.49436493"
                           z3="6.47188"
                           zFract="0.29126373"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20982"
                           xFract="0.49879384"
                           y3="2.12012"
                           yFract="0.25119905"
                           z3="4.24684"
                           zFract="0.19112691"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03412"
                           xFract="0.24100948"
                           y3="2.08045"
                           yFract="0.24649882"
                           z3="6.44712"
                           zFract="0.29014941"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36219"
                           xFract="0.75381398"
                           y3="4.21027"
                           yFract="0.49884716"
                           z3="4.24885"
                           zFract="0.19121737"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.62635"
                           xFract="0.54814573"
                           y3="6.2639"
                           yFract="0.74216825"
                           z3="8.57457"
                           zFract="0.38589424"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27193"
                           xFract="0.50615284"
                           y3="4.21776"
                           yFract="0.4997346"
                           z3="6.46847"
                           zFract="0.29111026"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.34214"
                           xFract="0.27750474"
                           y3="-0.10837"
                           yFract="-0.01284005"
                           z3="8.4805"
                           zFract="0.38166067"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27582"
                           xFract="0.74358057"
                           y3="0.5714"
                           yFract="0.06770142"
                           z3="8.49278"
                           zFract="0.38221332"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27484"
                           xFract="0.98043128"
                           y3="2.0288"
                           yFract="0.24037915"
                           z3="6.22212"
                           zFract="0.2800234"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19377"
                           xFract="0.25992536"
                           y3="8.42683"
                           yFract="0.99843957"
                           z3="6.30752"
                           zFract="0.28386679"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01228"
                           xFract="0.00145498"
                           y3="0.01866"
                           yFract="0.0022109"
                           z3="4.25493"
                           zFract="0.191491"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2959"
                           xFract="0.98292654"
                           y3="0.1788"
                           yFract="0.02118483"
                           z3="8.37139"
                           zFract="0.37675023"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13175"
                           xFract="0.25257701"
                           y3="2.12189"
                           yFract="0.25140877"
                           z3="4.31834"
                           zFract="0.19434473"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13457"
                           xFract="0.25291114"
                           y3="1.83088"
                           yFract="0.21692891"
                           z3="8.51319"
                           zFract="0.38313186"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4449"
                           xFract="0.52664692"
                           y3="2.10907"
                           yFract="0.24988981"
                           z3="6.38448"
                           zFract="0.28733033"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33558"
                           xFract="0.75066114"
                           y3="8.33364"
                           yFract="0.9873981"
                           z3="6.2881"
                           zFract="0.2829928"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21803"
                           xFract="0.49976659"
                           y3="8.31759"
                           yFract="0.98549645"
                           z3="4.20163"
                           zFract="0.18909226"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.45737"
                           xFract="0.52812441"
                           y3="-0.21104"
                           yFract="-0.02500474"
                           z3="8.49617"
                           zFract="0.38236589"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28218"
                           xFract="0.74433412"
                           y3="2.0775"
                           yFract="0.24614929"
                           z3="4.04494"
                           zFract="0.1820405"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.96002"
                           xFract="0.82464692"
                           y3="2.28967"
                           yFract="0.27128791"
                           z3="9.24866"
                           zFract="0.41623132"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40884"
                           xFract="0.99630806"
                           y3="6.53399"
                           yFract="0.77416943"
                           z3="6.34435"
                           zFract="0.2855243"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94093"
                           xFract="0.22996801"
                           y3="4.25103"
                           yFract="0.50367654"
                           z3="6.49664"
                           zFract="0.29237804"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0305"
                           xFract="0.00361374"
                           y3="4.19295"
                           yFract="0.49679502"
                           z3="4.13118"
                           zFract="0.18592169"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.84315"
                           xFract="0.09989929"
                           y3="3.58647"
                           yFract="0.4249372"
                           z3="9.8436"
                           zFract="0.4430063"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20998"
                           xFract="0.26184597"
                           y3="6.32009"
                           yFract="0.74882583"
                           z3="4.28582"
                           zFract="0.19288119"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8954"
                           xFract="0.22457346"
                           y3="6.43935"
                           yFract="0.76295616"
                           z3="8.47739"
                           zFract="0.3815207"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24688"
                           xFract="0.50318483"
                           y3="6.33053"
                           yFract="0.7500628"
                           z3="6.22024"
                           zFract="0.27993879"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42072"
                           xFract="0.76074882"
                           y3="4.30443"
                           yFract="0.51000355"
                           z3="6.28616"
                           zFract="0.28290549"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18172"
                           xFract="0.49546445"
                           y3="4.35531"
                           yFract="0.51603199"
                           z3="4.29055"
                           zFract="0.19309406"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06241"
                           xFract="0.4813282"
                           y3="4.39367"
                           yFract="0.52057701"
                           z3="8.55025"
                           zFract="0.38479973"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1886"
                           xFract="0.73324645"
                           y3="6.36637"
                           yFract="0.75430924"
                           z3="4.20374"
                           zFract="0.18918722"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59606"
                           xFract="0.7815237"
                           y3="5.97826"
                           yFract="0.70832464"
                           z3="8.42113"
                           zFract="0.37898875"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.239">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21722"
                           xFract="0.02573697"
                           y3="3.86299"
                           yFract="0.45770024"
                           z3="10.53785"
                           zFract="0.47425068"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05301"
                           xFract="-0.00628081"
                           y3="6.53188"
                           yFract="0.77391943"
                           z3="8.42626"
                           zFract="0.37921962"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34082"
                           xFract="0.75128199"
                           y3="0.01734"
                           yFract="0.0020545"
                           z3="4.24466"
                           zFract="0.1910288"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.32928"
                           xFract="0.03901422"
                           y3="1.93164"
                           yFract="0.2288673"
                           z3="9.05085"
                           zFract="0.40732898"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36812"
                           xFract="0.75451659"
                           y3="6.31152"
                           yFract="0.74781043"
                           z3="6.33966"
                           zFract="0.28531323"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20743"
                           xFract="0.49851066"
                           y3="6.33232"
                           yFract="0.75027488"
                           z3="4.22093"
                           zFract="0.18996085"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41541"
                           xFract="0.99708649"
                           y3="0.08508"
                           yFract="0.01008057"
                           z3="6.36076"
                           zFract="0.28626283"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41936"
                           xFract="0.9975545"
                           y3="2.11382"
                           yFract="0.25045261"
                           z3="4.19977"
                           zFract="0.18900855"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0880"
                           xFract="0.24739336"
                           y3="4.42563"
                           yFract="0.52436374"
                           z3="8.59035"
                           zFract="0.38660441"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08831"
                           xFract="0.24743009"
                           y3="4.20884"
                           yFract="0.49867773"
                           z3="4.28816"
                           zFract="0.1929865"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0725"
                           xFract="0.24555687"
                           y3="6.35355"
                           yFract="0.75279028"
                           z3="6.37713"
                           zFract="0.28699955"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10733"
                           xFract="0.24968365"
                           y3="0.01194"
                           yFract="0.00141469"
                           z3="4.23438"
                           zFract="0.19056616"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28142"
                           xFract="0.50727725"
                           y3="0.00515"
                           yFract="0.00061019"
                           z3="6.33242"
                           zFract="0.2849874"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37434"
                           xFract="0.75525355"
                           y3="2.13648"
                           yFract="0.25313744"
                           z3="6.38519"
                           zFract="0.28736229"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.8070"
                           xFract="0.80651659"
                           y3="4.06726"
                           yFract="0.48190284"
                           z3="8.65087"
                           zFract="0.38932808"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11858"
                           xFract="0.48798341"
                           y3="2.37888"
                           yFract="0.28185782"
                           z3="8.50292"
                           zFract="0.38266967"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43527"
                           xFract="0.99943957"
                           y3="6.31298"
                           yFract="0.74798341"
                           z3="4.24778"
                           zFract="0.19116922"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39842"
                           xFract="0.99507346"
                           y3="4.17159"
                           yFract="0.49426422"
                           z3="6.4731"
                           zFract="0.29131863"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2104"
                           xFract="0.49886256"
                           y3="2.12037"
                           yFract="0.25122867"
                           z3="4.24683"
                           zFract="0.19112646"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03398"
                           xFract="0.24099289"
                           y3="2.08016"
                           yFract="0.24646445"
                           z3="6.4474"
                           zFract="0.29016202"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36226"
                           xFract="0.75382227"
                           y3="4.20981"
                           yFract="0.49879265"
                           z3="4.24821"
                           zFract="0.19118857"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63017"
                           xFract="0.54859834"
                           y3="6.26466"
                           yFract="0.74225829"
                           z3="8.57713"
                           zFract="0.38600945"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27189"
                           xFract="0.5061481"
                           y3="4.21819"
                           yFract="0.49978555"
                           z3="6.46984"
                           zFract="0.29117192"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.34676"
                           xFract="0.27805213"
                           y3="-0.10964"
                           yFract="-0.01299052"
                           z3="8.48155"
                           zFract="0.38170792"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27445"
                           xFract="0.74341825"
                           y3="0.57711"
                           yFract="0.06837796"
                           z3="8.49327"
                           zFract="0.38223537"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27638"
                           xFract="0.98061374"
                           y3="2.02783"
                           yFract="0.24026422"
                           z3="6.22159"
                           zFract="0.27999955"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1949"
                           xFract="0.26005924"
                           y3="8.42599"
                           yFract="0.99834005"
                           z3="6.30725"
                           zFract="0.28385464"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01221"
                           xFract="0.00144668"
                           y3="0.01823"
                           yFract="0.00215995"
                           z3="4.25488"
                           zFract="0.19148875"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29429"
                           xFract="0.98273578"
                           y3="0.17953"
                           yFract="0.02127133"
                           z3="8.37004"
                           zFract="0.37668947"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13184"
                           xFract="0.25258768"
                           y3="2.12187"
                           yFract="0.2514064"
                           z3="4.31928"
                           zFract="0.19438704"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13416"
                           xFract="0.25286256"
                           y3="1.82628"
                           yFract="0.21638389"
                           z3="8.51193"
                           zFract="0.38307516"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44569"
                           xFract="0.52674052"
                           y3="2.10918"
                           yFract="0.24990284"
                           z3="6.38414"
                           zFract="0.28731503"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33593"
                           xFract="0.75070261"
                           y3="8.3322"
                           yFract="0.98722749"
                           z3="6.28649"
                           zFract="0.28292034"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21826"
                           xFract="0.49979384"
                           y3="8.31793"
                           yFract="0.98553673"
                           z3="4.20225"
                           zFract="0.18912016"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46056"
                           xFract="0.52850237"
                           y3="-0.21309"
                           yFract="-0.02524763"
                           z3="8.49706"
                           zFract="0.38240594"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28169"
                           xFract="0.74427607"
                           y3="2.07721"
                           yFract="0.24611493"
                           z3="4.04532"
                           zFract="0.18205761"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.96568"
                           xFract="0.82531754"
                           y3="2.29117"
                           yFract="0.27146564"
                           z3="9.25465"
                           zFract="0.4165009"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40944"
                           xFract="0.99637915"
                           y3="6.53478"
                           yFract="0.77426303"
                           z3="6.34445"
                           zFract="0.2855288"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94143"
                           xFract="0.23002725"
                           y3="4.25126"
                           yFract="0.50370379"
                           z3="6.49752"
                           zFract="0.29241764"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03039"
                           xFract="0.00360071"
                           y3="4.19356"
                           yFract="0.4968673"
                           z3="4.13144"
                           zFract="0.18593339"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.85414"
                           xFract="0.10120142"
                           y3="3.57578"
                           yFract="0.42367062"
                           z3="9.8590"
                           zFract="0.44369937"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2107"
                           xFract="0.26193128"
                           y3="6.3203"
                           yFract="0.74885071"
                           z3="4.28601"
                           zFract="0.19288974"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89389"
                           xFract="0.22439455"
                           y3="6.44014"
                           yFract="0.76304976"
                           z3="8.47796"
                           zFract="0.38154635"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24786"
                           xFract="0.50330095"
                           y3="6.33028"
                           yFract="0.75003318"
                           z3="6.2193"
                           zFract="0.27989649"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42049"
                           xFract="0.76072156"
                           y3="4.30345"
                           yFract="0.50988744"
                           z3="6.28543"
                           zFract="0.28287264"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18182"
                           xFract="0.4954763"
                           y3="4.3555"
                           yFract="0.5160545"
                           z3="4.29086"
                           zFract="0.19310801"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.0601"
                           xFract="0.4810545"
                           y3="4.39537"
                           yFract="0.52077844"
                           z3="8.55101"
                           zFract="0.38483393"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18911"
                           xFract="0.73330687"
                           y3="6.36629"
                           yFract="0.75429976"
                           z3="4.20365"
                           zFract="0.18918317"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59815"
                           xFract="0.78177133"
                           y3="5.97447"
                           yFract="0.70787559"
                           z3="8.41974"
                           zFract="0.37892619"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.240">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21232"
                           xFract="0.0251564"
                           y3="3.86305"
                           yFract="0.45770735"
                           z3="10.52407"
                           zFract="0.47363051"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05169"
                           xFract="-0.00612441"
                           y3="6.53559"
                           yFract="0.774359"
                           z3="8.42507"
                           zFract="0.37916607"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34117"
                           xFract="0.75132346"
                           y3="0.01684"
                           yFract="0.00199526"
                           z3="4.24431"
                           zFract="0.19101305"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.34657"
                           xFract="0.0410628"
                           y3="1.92747"
                           yFract="0.22837322"
                           z3="9.05708"
                           zFract="0.40760936"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36916"
                           xFract="0.75463981"
                           y3="6.31022"
                           yFract="0.7476564"
                           z3="6.3379"
                           zFract="0.28523402"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20731"
                           xFract="0.49849645"
                           y3="6.33022"
                           yFract="0.75002607"
                           z3="4.21957"
                           zFract="0.18989964"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41415"
                           xFract="0.9969372"
                           y3="0.08708"
                           yFract="0.01031754"
                           z3="6.36385"
                           zFract="0.28640189"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42002"
                           xFract="0.9976327"
                           y3="2.11398"
                           yFract="0.25047156"
                           z3="4.19708"
                           zFract="0.18888749"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08504"
                           xFract="0.24704265"
                           y3="4.43138"
                           yFract="0.52504502"
                           z3="8.59431"
                           zFract="0.38678263"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08873"
                           xFract="0.24747986"
                           y3="4.20834"
                           yFract="0.49861848"
                           z3="4.28855"
                           zFract="0.19300405"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07336"
                           xFract="0.24565877"
                           y3="6.35437"
                           yFract="0.75288744"
                           z3="6.37798"
                           zFract="0.2870378"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10828"
                           xFract="0.24979621"
                           y3="0.01163"
                           yFract="0.00137796"
                           z3="4.23446"
                           zFract="0.19056976"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28382"
                           xFract="0.50756161"
                           y3="0.00406"
                           yFract="0.00048104"
                           z3="6.33322"
                           zFract="0.2850234"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37584"
                           xFract="0.75543128"
                           y3="2.13673"
                           yFract="0.25316706"
                           z3="6.38435"
                           zFract="0.28732448"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81663"
                           xFract="0.80765758"
                           y3="4.06386"
                           yFract="0.4815"
                           z3="8.65295"
                           zFract="0.38942169"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10911"
                           xFract="0.48686137"
                           y3="2.38683"
                           yFract="0.28279976"
                           z3="8.50006"
                           zFract="0.38254095"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43657"
                           xFract="0.9995936"
                           y3="6.31269"
                           yFract="0.74794905"
                           z3="4.24869"
                           zFract="0.19121017"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3989"
                           xFract="0.99513033"
                           y3="4.1699"
                           yFract="0.49406398"
                           z3="6.47554"
                           zFract="0.29142844"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21154"
                           xFract="0.49899763"
                           y3="2.12087"
                           yFract="0.25128791"
                           z3="4.24679"
                           zFract="0.19112466"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03371"
                           xFract="0.2409609"
                           y3="2.07957"
                           yFract="0.24639455"
                           z3="6.44795"
                           zFract="0.29018677"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36239"
                           xFract="0.75383768"
                           y3="4.2089"
                           yFract="0.49868483"
                           z3="4.24692"
                           zFract="0.19113051"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6378"
                           xFract="0.54950237"
                           y3="6.2662"
                           yFract="0.74244076"
                           z3="8.58225"
                           zFract="0.38623987"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2718"
                           xFract="0.50613744"
                           y3="4.21906"
                           yFract="0.49988863"
                           z3="6.47257"
                           zFract="0.29129478"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.35599"
                           xFract="0.27914573"
                           y3="-0.11217"
                           yFract="-0.01329028"
                           z3="8.48364"
                           zFract="0.38180198"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27172"
                           xFract="0.74309479"
                           y3="0.58854"
                           yFract="0.06973223"
                           z3="8.49423"
                           zFract="0.38227858"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27945"
                           xFract="0.98097749"
                           y3="2.0259"
                           yFract="0.24003555"
                           z3="6.22054"
                           zFract="0.2799523"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19715"
                           xFract="0.26032583"
                           y3="8.4243"
                           yFract="0.99813981"
                           z3="6.3067"
                           zFract="0.28382988"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01208"
                           xFract="0.00143128"
                           y3="0.01737"
                           yFract="0.00205806"
                           z3="4.25478"
                           zFract="0.19148425"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29108"
                           xFract="0.98235545"
                           y3="0.18101"
                           yFract="0.02144668"
                           z3="8.36734"
                           zFract="0.37656796"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13202"
                           xFract="0.252609"
                           y3="2.12183"
                           yFract="0.25140166"
                           z3="4.32115"
                           zFract="0.1944712"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13335"
                           xFract="0.25276659"
                           y3="1.81707"
                           yFract="0.21529265"
                           z3="8.5094"
                           zFract="0.3829613"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44726"
                           xFract="0.52692654"
                           y3="2.10942"
                           yFract="0.24993128"
                           z3="6.38347"
                           zFract="0.28728488"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33662"
                           xFract="0.75078436"
                           y3="8.32932"
                           yFract="0.98688626"
                           z3="6.28326"
                           zFract="0.28277498"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21873"
                           xFract="0.49984953"
                           y3="8.3186"
                           yFract="0.98561611"
                           z3="4.20351"
                           zFract="0.18917687"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46695"
                           xFract="0.52925948"
                           y3="-0.21717"
                           yFract="-0.02573104"
                           z3="8.49885"
                           zFract="0.3824865"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28072"
                           xFract="0.74416114"
                           y3="2.07662"
                           yFract="0.24604502"
                           z3="4.04608"
                           zFract="0.18209181"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.97699"
                           xFract="0.82665758"
                           y3="2.29418"
                           yFract="0.27182227"
                           z3="9.26661"
                           zFract="0.41703915"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41062"
                           xFract="0.99651896"
                           y3="6.53636"
                           yFract="0.77445024"
                           z3="6.34466"
                           zFract="0.28553825"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94242"
                           xFract="0.23014455"
                           y3="4.2517"
                           yFract="0.50375592"
                           z3="6.49928"
                           zFract="0.29249685"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03017"
                           xFract="0.00357464"
                           y3="4.19478"
                           yFract="0.49701185"
                           z3="4.13196"
                           zFract="0.1859568"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.87611"
                           xFract="0.1038045"
                           y3="3.55441"
                           yFract="0.42113863"
                           z3="9.88978"
                           zFract="0.44508461"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21212"
                           xFract="0.26209953"
                           y3="6.32073"
                           yFract="0.74890166"
                           z3="4.28638"
                           zFract="0.19290639"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89088"
                           xFract="0.22403791"
                           y3="6.44171"
                           yFract="0.76323578"
                           z3="8.47908"
                           zFract="0.38159676"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24983"
                           xFract="0.50353436"
                           y3="6.32976"
                           yFract="0.74997156"
                           z3="6.21741"
                           zFract="0.27981143"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42004"
                           xFract="0.76066825"
                           y3="4.3015"
                           yFract="0.5096564"
                           z3="6.28396"
                           zFract="0.28280648"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18202"
                           xFract="0.4955"
                           y3="4.35589"
                           yFract="0.51610071"
                           z3="4.29148"
                           zFract="0.19313591"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05548"
                           xFract="0.48050711"
                           y3="4.39875"
                           yFract="0.52117891"
                           z3="8.55254"
                           zFract="0.38490279"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19012"
                           xFract="0.73342654"
                           y3="6.36613"
                           yFract="0.75428081"
                           z3="4.20348"
                           zFract="0.18917552"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60234"
                           xFract="0.78226777"
                           y3="5.96689"
                           yFract="0.70697749"
                           z3="8.41696"
                           zFract="0.37880108"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.241">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21485"
                           xFract="0.02545616"
                           y3="3.86302"
                           yFract="0.45770379"
                           z3="10.53118"
                           zFract="0.4739505"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05237"
                           xFract="-0.00620498"
                           y3="6.53368"
                           yFract="0.7741327"
                           z3="8.42568"
                           zFract="0.37919352"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34099"
                           xFract="0.75130213"
                           y3="0.0171"
                           yFract="0.00202607"
                           z3="4.24449"
                           zFract="0.19102115"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.33765"
                           xFract="0.04000592"
                           y3="1.92962"
                           yFract="0.22862796"
                           z3="9.05386"
                           zFract="0.40746445"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36863"
                           xFract="0.75457701"
                           y3="6.31089"
                           yFract="0.74773578"
                           z3="6.3388"
                           zFract="0.28527453"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20737"
                           xFract="0.49850355"
                           y3="6.3313"
                           yFract="0.75015403"
                           z3="4.22027"
                           zFract="0.18993114"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4148"
                           xFract="0.99701422"
                           y3="0.08605"
                           yFract="0.0101955"
                           z3="6.36226"
                           zFract="0.28633033"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41968"
                           xFract="0.99759242"
                           y3="2.1139"
                           yFract="0.25046209"
                           z3="4.19847"
                           zFract="0.18895005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08657"
                           xFract="0.24722393"
                           y3="4.42842"
                           yFract="0.52469431"
                           z3="8.59226"
                           zFract="0.38669037"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08851"
                           xFract="0.24745379"
                           y3="4.2086"
                           yFract="0.49864929"
                           z3="4.28835"
                           zFract="0.19299505"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07292"
                           xFract="0.24560664"
                           y3="6.35395"
                           yFract="0.75283768"
                           z3="6.37754"
                           zFract="0.287018"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10779"
                           xFract="0.24973815"
                           y3="0.01179"
                           yFract="0.00139692"
                           z3="4.23442"
                           zFract="0.19056796"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28258"
                           xFract="0.50741469"
                           y3="0.00462"
                           yFract="0.00054739"
                           z3="6.3328"
                           zFract="0.2850045"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37506"
                           xFract="0.75533886"
                           y3="2.1366"
                           yFract="0.25315166"
                           z3="6.38478"
                           zFract="0.28734383"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81166"
                           xFract="0.80706872"
                           y3="4.06562"
                           yFract="0.48170853"
                           z3="8.65187"
                           zFract="0.38937309"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11399"
                           xFract="0.48743957"
                           y3="2.38273"
                           yFract="0.28231398"
                           z3="8.50154"
                           zFract="0.38260756"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4359"
                           xFract="0.99951422"
                           y3="6.31284"
                           yFract="0.74796682"
                           z3="4.24822"
                           zFract="0.19118902"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39865"
                           xFract="0.99510071"
                           y3="4.17077"
                           yFract="0.49416706"
                           z3="6.47428"
                           zFract="0.29137174"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21095"
                           xFract="0.49892773"
                           y3="2.12061"
                           yFract="0.25125711"
                           z3="4.24681"
                           zFract="0.19112556"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03385"
                           xFract="0.24097749"
                           y3="2.07987"
                           yFract="0.24643009"
                           z3="6.44766"
                           zFract="0.29017372"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36232"
                           xFract="0.75382938"
                           y3="4.20937"
                           yFract="0.49874052"
                           z3="4.24758"
                           zFract="0.19116022"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63386"
                           xFract="0.54903555"
                           y3="6.2654"
                           yFract="0.74234597"
                           z3="8.57961"
                           zFract="0.38612106"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27185"
                           xFract="0.50614336"
                           y3="4.21861"
                           yFract="0.49983531"
                           z3="6.47116"
                           zFract="0.29123132"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.35123"
                           xFract="0.27858175"
                           y3="-0.11087"
                           yFract="-0.01313626"
                           z3="8.48256"
                           zFract="0.38175338"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27313"
                           xFract="0.74326185"
                           y3="0.58264"
                           yFract="0.06903318"
                           z3="8.49373"
                           zFract="0.38225608"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27787"
                           xFract="0.98079028"
                           y3="2.0269"
                           yFract="0.24015403"
                           z3="6.22108"
                           zFract="0.2799766"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19599"
                           xFract="0.26018839"
                           y3="8.42517"
                           yFract="0.99824289"
                           z3="6.30698"
                           zFract="0.28384248"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01215"
                           xFract="0.00143957"
                           y3="0.01781"
                           yFract="0.00211019"
                           z3="4.25483"
                           zFract="0.1914865"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29274"
                           xFract="0.98255213"
                           y3="0.18025"
                           yFract="0.02135664"
                           z3="8.36873"
                           zFract="0.37663051"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13193"
                           xFract="0.25259834"
                           y3="2.12185"
                           yFract="0.25140403"
                           z3="4.32018"
                           zFract="0.19442754"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13377"
                           xFract="0.25281635"
                           y3="1.82182"
                           yFract="0.21585545"
                           z3="8.5107"
                           zFract="0.3830198"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44645"
                           xFract="0.52683057"
                           y3="2.1093"
                           yFract="0.24991706"
                           z3="6.38381"
                           zFract="0.28730018"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33626"
                           xFract="0.75074171"
                           y3="8.33081"
                           yFract="0.9870628"
                           z3="6.28493"
                           zFract="0.28285014"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21849"
                           xFract="0.49982109"
                           y3="8.31826"
                           yFract="0.98557583"
                           z3="4.20286"
                           zFract="0.18914761"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46365"
                           xFract="0.52886848"
                           y3="-0.21506"
                           yFract="-0.02548104"
                           z3="8.49793"
                           zFract="0.38244509"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28122"
                           xFract="0.74422038"
                           y3="2.07692"
                           yFract="0.24608057"
                           z3="4.04569"
                           zFract="0.18207426"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.97116"
                           xFract="0.82596682"
                           y3="2.29263"
                           yFract="0.27163863"
                           z3="9.26044"
                           zFract="0.41676148"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41001"
                           xFract="0.99644668"
                           y3="6.53554"
                           yFract="0.77435308"
                           z3="6.34455"
                           zFract="0.2855333"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94191"
                           xFract="0.23008412"
                           y3="4.25147"
                           yFract="0.50372867"
                           z3="6.49837"
                           zFract="0.2924559"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03028"
                           xFract="0.00358768"
                           y3="4.19415"
                           yFract="0.4969372"
                           z3="4.13169"
                           zFract="0.18594464"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.86478"
                           xFract="0.10246209"
                           y3="3.56543"
                           yFract="0.42244431"
                           z3="9.8739"
                           zFract="0.44436994"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21139"
                           xFract="0.26201303"
                           y3="6.32051"
                           yFract="0.74887559"
                           z3="4.28619"
                           zFract="0.19289784"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89244"
                           xFract="0.22422275"
                           y3="6.4409"
                           yFract="0.76313981"
                           z3="8.4785"
                           zFract="0.38157066"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24882"
                           xFract="0.50341469"
                           y3="6.33003"
                           yFract="0.75000355"
                           z3="6.21838"
                           zFract="0.27985509"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42027"
                           xFract="0.7606955"
                           y3="4.30251"
                           yFract="0.50977607"
                           z3="6.28472"
                           zFract="0.28284068"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18192"
                           xFract="0.49548815"
                           y3="4.35569"
                           yFract="0.51607701"
                           z3="4.29116"
                           zFract="0.19312151"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05787"
                           xFract="0.48079028"
                           y3="4.3970"
                           yFract="0.52097156"
                           z3="8.55175"
                           zFract="0.38486724"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1896"
                           xFract="0.73336493"
                           y3="6.36622"
                           yFract="0.75429147"
                           z3="4.20357"
                           zFract="0.18917957"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60018"
                           xFract="0.78201185"
                           y3="5.9708"
                           yFract="0.70744076"
                           z3="8.41839"
                           zFract="0.37886544"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.242">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21384"
                           xFract="0.02533649"
                           y3="3.86337"
                           yFract="0.45774526"
                           z3="10.52884"
                           zFract="0.47384518"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05259"
                           xFract="-0.00623104"
                           y3="6.53397"
                           yFract="0.77416706"
                           z3="8.42558"
                           zFract="0.37918902"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34098"
                           xFract="0.75130095"
                           y3="0.01686"
                           yFract="0.00199763"
                           z3="4.24435"
                           zFract="0.19101485"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.33815"
                           xFract="0.04006517"
                           y3="1.92897"
                           yFract="0.22855095"
                           z3="9.05497"
                           zFract="0.4075144"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3687"
                           xFract="0.75458531"
                           y3="6.31071"
                           yFract="0.74771445"
                           z3="6.33865"
                           zFract="0.28526778"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20751"
                           xFract="0.49852014"
                           y3="6.33135"
                           yFract="0.75015995"
                           z3="4.2202"
                           zFract="0.18992799"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41458"
                           xFract="0.99698815"
                           y3="0.08615"
                           yFract="0.01020735"
                           z3="6.36274"
                           zFract="0.28635194"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.41987"
                           xFract="0.99761493"
                           y3="2.11381"
                           yFract="0.25045142"
                           z3="4.19835"
                           zFract="0.18894464"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0858"
                           xFract="0.2471327"
                           y3="4.42875"
                           yFract="0.52473341"
                           z3="8.59309"
                           zFract="0.38672772"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08863"
                           xFract="0.24746801"
                           y3="4.20845"
                           yFract="0.49863152"
                           z3="4.28813"
                           zFract="0.19298515"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07296"
                           xFract="0.24561137"
                           y3="6.35424"
                           yFract="0.75287204"
                           z3="6.37758"
                           zFract="0.2870198"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10787"
                           xFract="0.24974763"
                           y3="0.01187"
                           yFract="0.0014064"
                           z3="4.23448"
                           zFract="0.19057066"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28311"
                           xFract="0.50747749"
                           y3="0.00435"
                           yFract="0.0005154"
                           z3="6.33262"
                           zFract="0.2849964"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37529"
                           xFract="0.75536611"
                           y3="2.13683"
                           yFract="0.25317891"
                           z3="6.38428"
                           zFract="0.28732133"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81248"
                           xFract="0.80716588"
                           y3="4.06549"
                           yFract="0.48169313"
                           z3="8.65241"
                           zFract="0.38939739"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11293"
                           xFract="0.48731398"
                           y3="2.38376"
                           yFract="0.28243602"
                           z3="8.50122"
                           zFract="0.38259316"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43583"
                           xFract="0.99950592"
                           y3="6.31295"
                           yFract="0.74797986"
                           z3="4.24854"
                           zFract="0.19120342"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39872"
                           xFract="0.995109"
                           y3="4.17046"
                           yFract="0.49413033"
                           z3="6.47463"
                           zFract="0.29138749"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21123"
                           xFract="0.4989609"
                           y3="2.12064"
                           yFract="0.25126066"
                           z3="4.24703"
                           zFract="0.19113546"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0337"
                           xFract="0.24095972"
                           y3="2.07952"
                           yFract="0.24638863"
                           z3="6.4477"
                           zFract="0.29017552"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36235"
                           xFract="0.75383294"
                           y3="4.20935"
                           yFract="0.49873815"
                           z3="4.24718"
                           zFract="0.19114221"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63481"
                           xFract="0.5491481"
                           y3="6.26505"
                           yFract="0.7423045"
                           z3="8.58029"
                           zFract="0.38615167"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27194"
                           xFract="0.50615403"
                           y3="4.21857"
                           yFract="0.49983057"
                           z3="6.47149"
                           zFract="0.29124617"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.35227"
                           xFract="0.27870498"
                           y3="-0.11162"
                           yFract="-0.01322512"
                           z3="8.48302"
                           zFract="0.38177408"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27311"
                           xFract="0.74325948"
                           y3="0.58417"
                           yFract="0.06921445"
                           z3="8.49461"
                           zFract="0.38229568"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2782"
                           xFract="0.98082938"
                           y3="2.02667"
                           yFract="0.24012678"
                           z3="6.22113"
                           zFract="0.27997885"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19655"
                           xFract="0.26025474"
                           y3="8.42512"
                           yFract="0.99823697"
                           z3="6.30685"
                           zFract="0.28383663"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01207"
                           xFract="0.00143009"
                           y3="0.01762"
                           yFract="0.00208768"
                           z3="4.25487"
                           zFract="0.1914883"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2926"
                           xFract="0.98253555"
                           y3="0.1804"
                           yFract="0.02137441"
                           z3="8.36812"
                           zFract="0.37660306"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13191"
                           xFract="0.25259597"
                           y3="2.12188"
                           yFract="0.25140758"
                           z3="4.32041"
                           zFract="0.19443789"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1344"
                           xFract="0.252891"
                           y3="1.82089"
                           yFract="0.21574526"
                           z3="8.5102"
                           zFract="0.3829973"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44621"
                           xFract="0.52680213"
                           y3="2.10929"
                           yFract="0.24991588"
                           z3="6.38369"
                           zFract="0.28729478"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33648"
                           xFract="0.75076777"
                           y3="8.33053"
                           yFract="0.98702962"
                           z3="6.28461"
                           zFract="0.28283573"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21854"
                           xFract="0.49982701"
                           y3="8.3183"
                           yFract="0.98558057"
                           z3="4.20297"
                           zFract="0.18915257"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46415"
                           xFract="0.52892773"
                           y3="-0.21546"
                           yFract="-0.02552844"
                           z3="8.49782"
                           zFract="0.38244014"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28138"
                           xFract="0.74423934"
                           y3="2.07666"
                           yFract="0.24604976"
                           z3="4.0461"
                           zFract="0.18209271"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.97343"
                           xFract="0.82623578"
                           y3="2.29285"
                           yFract="0.27166469"
                           z3="9.26213"
                           zFract="0.41683753"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4103"
                           xFract="0.99648104"
                           y3="6.53554"
                           yFract="0.77435308"
                           z3="6.3444"
                           zFract="0.28552655"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94196"
                           xFract="0.23009005"
                           y3="4.25115"
                           yFract="0.50369076"
                           z3="6.4988"
                           zFract="0.29247525"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03023"
                           xFract="0.00358175"
                           y3="4.19428"
                           yFract="0.49695261"
                           z3="4.13156"
                           zFract="0.18593879"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.86869"
                           xFract="0.10292536"
                           y3="3.56285"
                           yFract="0.42213863"
                           z3="9.87766"
                           zFract="0.44453915"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21141"
                           xFract="0.2620154"
                           y3="6.32047"
                           yFract="0.74887085"
                           z3="4.28631"
                           zFract="0.19290324"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89197"
                           xFract="0.22416706"
                           y3="6.44128"
                           yFract="0.76318483"
                           z3="8.4788"
                           zFract="0.38158416"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24904"
                           xFract="0.50344076"
                           y3="6.3299"
                           yFract="0.74998815"
                           z3="6.21805"
                           zFract="0.27984023"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42036"
                           xFract="0.76070616"
                           y3="4.30245"
                           yFract="0.50976896"
                           z3="6.28436"
                           zFract="0.28282448"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18205"
                           xFract="0.49550355"
                           y3="4.35566"
                           yFract="0.51607346"
                           z3="4.29145"
                           zFract="0.19313456"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05769"
                           xFract="0.48076896"
                           y3="4.39767"
                           yFract="0.52105095"
                           z3="8.55178"
                           zFract="0.38486859"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.18975"
                           xFract="0.7333827"
                           y3="6.3662"
                           yFract="0.7542891"
                           z3="4.20357"
                           zFract="0.18917957"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.6007"
                           xFract="0.78207346"
                           y3="5.97052"
                           yFract="0.70740758"
                           z3="8.41823"
                           zFract="0.37885824"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.243">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.21082"
                           xFract="0.02497867"
                           y3="3.86443"
                           yFract="0.45787085"
                           z3="10.52185"
                           zFract="0.4735306"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05325"
                           xFract="-0.00630924"
                           y3="6.53484"
                           yFract="0.77427014"
                           z3="8.42525"
                           zFract="0.37917417"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34095"
                           xFract="0.75129739"
                           y3="0.01613"
                           yFract="0.00191114"
                           z3="4.24392"
                           zFract="0.1909955"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.33966"
                           xFract="0.04024408"
                           y3="1.92701"
                           yFract="0.22831872"
                           z3="9.05829"
                           zFract="0.40766382"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36892"
                           xFract="0.75461137"
                           y3="6.31016"
                           yFract="0.74764929"
                           z3="6.3382"
                           zFract="0.28524752"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20791"
                           xFract="0.49856754"
                           y3="6.3315"
                           yFract="0.75017773"
                           z3="4.21996"
                           zFract="0.18991719"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41393"
                           xFract="0.99691114"
                           y3="0.08644"
                           yFract="0.01024171"
                           z3="6.36417"
                           zFract="0.28641629"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42042"
                           xFract="0.99768009"
                           y3="2.11353"
                           yFract="0.25041825"
                           z3="4.19799"
                           zFract="0.18892844"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08348"
                           xFract="0.24685782"
                           y3="4.42977"
                           yFract="0.52485427"
                           z3="8.59555"
                           zFract="0.38683843"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08898"
                           xFract="0.24750948"
                           y3="4.2080"
                           yFract="0.4985782"
                           z3="4.28745"
                           zFract="0.19295455"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07308"
                           xFract="0.24562559"
                           y3="6.35513"
                           yFract="0.75297749"
                           z3="6.37771"
                           zFract="0.28702565"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10811"
                           xFract="0.24977607"
                           y3="0.01209"
                           yFract="0.00143246"
                           z3="4.23467"
                           zFract="0.19057921"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28469"
                           xFract="0.50766469"
                           y3="0.00352"
                           yFract="0.00041706"
                           z3="6.33205"
                           zFract="0.28497075"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37599"
                           xFract="0.75544905"
                           y3="2.13753"
                           yFract="0.25326185"
                           z3="6.38276"
                           zFract="0.28725293"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81494"
                           xFract="0.80745735"
                           y3="4.06509"
                           yFract="0.48164573"
                           z3="8.65401"
                           zFract="0.3894694"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10975"
                           xFract="0.4869372"
                           y3="2.38684"
                           yFract="0.28280095"
                           z3="8.50028"
                           zFract="0.38255086"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43561"
                           xFract="0.99947986"
                           y3="6.31326"
                           yFract="0.74801659"
                           z3="4.24948"
                           zFract="0.19124572"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39893"
                           xFract="0.99513389"
                           y3="4.16953"
                           yFract="0.49402014"
                           z3="6.47566"
                           zFract="0.29143384"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21207"
                           xFract="0.49906043"
                           y3="2.12071"
                           yFract="0.25126896"
                           z3="4.2477"
                           zFract="0.19116562"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03325"
                           xFract="0.2409064"
                           y3="2.07846"
                           yFract="0.24626303"
                           z3="6.4478"
                           zFract="0.29018002"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36245"
                           xFract="0.75384479"
                           y3="4.20927"
                           yFract="0.49872867"
                           z3="4.24597"
                           zFract="0.19108776"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63766"
                           xFract="0.54948578"
                           y3="6.26399"
                           yFract="0.74217891"
                           z3="8.58232"
                           zFract="0.38624302"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27224"
                           xFract="0.50618957"
                           y3="4.21846"
                           yFract="0.49981754"
                           z3="6.47249"
                           zFract="0.29129118"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.3554"
                           xFract="0.27907583"
                           y3="-0.11389"
                           yFract="-0.01349408"
                           z3="8.4844"
                           zFract="0.38183618"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27303"
                           xFract="0.74325"
                           y3="0.58874"
                           yFract="0.06975592"
                           z3="8.49726"
                           zFract="0.38241494"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27922"
                           xFract="0.98095024"
                           y3="2.0260"
                           yFract="0.24004739"
                           z3="6.22127"
                           zFract="0.27998515"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.19824"
                           xFract="0.26045498"
                           y3="8.42496"
                           yFract="0.99821801"
                           z3="6.30646"
                           zFract="0.28381908"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01182"
                           xFract="0.00140047"
                           y3="0.01704"
                           yFract="0.00201896"
                           z3="4.25501"
                           zFract="0.1914946"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29218"
                           xFract="0.98248578"
                           y3="0.18087"
                           yFract="0.02143009"
                           z3="8.36629"
                           zFract="0.3765207"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13187"
                           xFract="0.25259123"
                           y3="2.12197"
                           yFract="0.25141825"
                           z3="4.3211"
                           zFract="0.19446895"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13631"
                           xFract="0.2531173"
                           y3="1.81809"
                           yFract="0.21541351"
                           z3="8.5087"
                           zFract="0.38292979"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44551"
                           xFract="0.52671919"
                           y3="2.10926"
                           yFract="0.24991232"
                           z3="6.38332"
                           zFract="0.28727813"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33712"
                           xFract="0.7508436"
                           y3="8.32972"
                           yFract="0.98693365"
                           z3="6.28368"
                           zFract="0.28279388"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21868"
                           xFract="0.4998436"
                           y3="8.31843"
                           yFract="0.98559597"
                           z3="4.20328"
                           zFract="0.18916652"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46562"
                           xFract="0.5291019"
                           y3="-0.21663"
                           yFract="-0.02566706"
                           z3="8.49752"
                           zFract="0.38242664"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28187"
                           xFract="0.74429739"
                           y3="2.07586"
                           yFract="0.24595498"
                           z3="4.04732"
                           zFract="0.18214761"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.98026"
                           xFract="0.82704502"
                           y3="2.29351"
                           yFract="0.27174289"
                           z3="9.26721"
                           zFract="0.41706616"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41116"
                           xFract="0.99658294"
                           y3="6.53554"
                           yFract="0.77435308"
                           z3="6.34394"
                           zFract="0.28550585"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94213"
                           xFract="0.23011019"
                           y3="4.25017"
                           yFract="0.50357464"
                           z3="6.50007"
                           zFract="0.2925324"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03007"
                           xFract="0.0035628"
                           y3="4.19467"
                           yFract="0.49699882"
                           z3="4.13119"
                           zFract="0.18592214"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.88043"
                           xFract="0.10431635"
                           y3="3.55508"
                           yFract="0.42121801"
                           z3="9.88893"
                           zFract="0.44504635"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21148"
                           xFract="0.2620237"
                           y3="6.32036"
                           yFract="0.74885782"
                           z3="4.28665"
                           zFract="0.19291854"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.89057"
                           xFract="0.22400118"
                           y3="6.44243"
                           yFract="0.76332109"
                           z3="8.4797"
                           zFract="0.38162466"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24973"
                           xFract="0.50352251"
                           y3="6.32952"
                           yFract="0.74994313"
                           z3="6.21706"
                           zFract="0.27979568"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42061"
                           xFract="0.76073578"
                           y3="4.3023"
                           yFract="0.50975118"
                           z3="6.2833"
                           zFract="0.28277678"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18243"
                           xFract="0.49554858"
                           y3="4.35557"
                           yFract="0.5160628"
                           z3="4.29233"
                           zFract="0.19317417"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05718"
                           xFract="0.48070853"
                           y3="4.39967"
                           yFract="0.52128791"
                           z3="8.55186"
                           zFract="0.38487219"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19021"
                           xFract="0.7334372"
                           y3="6.36615"
                           yFract="0.75428318"
                           z3="4.20357"
                           zFract="0.18917957"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60225"
                           xFract="0.78225711"
                           y3="5.9697"
                           yFract="0.70731043"
                           z3="8.41774"
                           zFract="0.37883618"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.244">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20478"
                           xFract="0.02426303"
                           y3="3.86656"
                           yFract="0.45812322"
                           z3="10.50785"
                           zFract="0.47290054"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05458"
                           xFract="-0.00646682"
                           y3="6.53658"
                           yFract="0.7744763"
                           z3="8.4246"
                           zFract="0.37914491"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34088"
                           xFract="0.7512891"
                           y3="0.01466"
                           yFract="0.00173697"
                           z3="4.24305"
                           zFract="0.19095635"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.34268"
                           xFract="0.0406019"
                           y3="1.92308"
                           yFract="0.22785308"
                           z3="9.06492"
                           zFract="0.4079622"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36935"
                           xFract="0.75466232"
                           y3="6.30906"
                           yFract="0.74751896"
                           z3="6.33728"
                           zFract="0.28520612"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20871"
                           xFract="0.49866232"
                           y3="6.3318"
                           yFract="0.75021327"
                           z3="4.2195"
                           zFract="0.18989649"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41262"
                           xFract="0.99675592"
                           y3="0.08702"
                           yFract="0.01031043"
                           z3="6.36705"
                           zFract="0.2865459"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42152"
                           xFract="0.99781043"
                           y3="2.11299"
                           yFract="0.25035427"
                           z3="4.19727"
                           zFract="0.18889604"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07886"
                           xFract="0.24631043"
                           y3="4.43181"
                           yFract="0.52509597"
                           z3="8.60049"
                           zFract="0.38706076"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08969"
                           xFract="0.2475936"
                           y3="4.2071"
                           yFract="0.49847156"
                           z3="4.28609"
                           zFract="0.19289334"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07332"
                           xFract="0.24565403"
                           y3="6.3569"
                           yFract="0.7531872"
                           z3="6.37795"
                           zFract="0.28703645"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1086"
                           xFract="0.24983412"
                           y3="0.01252"
                           yFract="0.00148341"
                           z3="4.23505"
                           zFract="0.19059631"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28787"
                           xFract="0.50804147"
                           y3="0.00187"
                           yFract="0.00022156"
                           z3="6.33092"
                           zFract="0.28491989"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37737"
                           xFract="0.75561256"
                           y3="2.13892"
                           yFract="0.25342654"
                           z3="6.37973"
                           zFract="0.28711656"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81985"
                           xFract="0.8080391"
                           y3="4.0643"
                           yFract="0.48155213"
                           z3="8.65722"
                           zFract="0.38961386"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10338"
                           xFract="0.48618246"
                           y3="2.39302"
                           yFract="0.28353318"
                           z3="8.49838"
                           zFract="0.38246535"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43519"
                           xFract="0.99943009"
                           y3="6.31389"
                           yFract="0.74809123"
                           z3="4.25137"
                           zFract="0.19133078"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39936"
                           xFract="0.99518483"
                           y3="4.16767"
                           yFract="0.49379976"
                           z3="6.47772"
                           zFract="0.29152655"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21376"
                           xFract="0.49926066"
                           y3="2.12086"
                           yFract="0.25128673"
                           z3="4.24904"
                           zFract="0.19122592"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03235"
                           xFract="0.24079976"
                           y3="2.07633"
                           yFract="0.24601066"
                           z3="6.4480"
                           zFract="0.29018902"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36263"
                           xFract="0.75386611"
                           y3="4.20913"
                           yFract="0.49871209"
                           z3="4.24354"
                           zFract="0.1909784"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64335"
                           xFract="0.55015995"
                           y3="6.26187"
                           yFract="0.74192773"
                           z3="8.58639"
                           zFract="0.38642619"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27284"
                           xFract="0.50626066"
                           y3="4.21822"
                           yFract="0.4997891"
                           z3="6.47448"
                           zFract="0.29138074"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36167"
                           xFract="0.27981872"
                           y3="-0.11844"
                           yFract="-0.01403318"
                           z3="8.48717"
                           zFract="0.38196085"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27288"
                           xFract="0.74323223"
                           y3="0.59789"
                           yFract="0.07084005"
                           z3="8.50254"
                           zFract="0.38265257"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28124"
                           xFract="0.98118957"
                           y3="2.02464"
                           yFract="0.23988626"
                           z3="6.22156"
                           zFract="0.2799982"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20161"
                           xFract="0.26085427"
                           y3="8.42465"
                           yFract="0.99818128"
                           z3="6.30567"
                           zFract="0.28378353"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01134"
                           xFract="0.0013436"
                           y3="0.01589"
                           yFract="0.0018827"
                           z3="4.25527"
                           zFract="0.1915063"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29136"
                           xFract="0.98238863"
                           y3="0.18181"
                           yFract="0.02154147"
                           z3="8.36262"
                           zFract="0.37635554"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13178"
                           xFract="0.25258057"
                           y3="2.12216"
                           yFract="0.25144076"
                           z3="4.32246"
                           zFract="0.19453015"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14012"
                           xFract="0.25356872"
                           y3="1.81249"
                           yFract="0.21475"
                           z3="8.50569"
                           zFract="0.38279433"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44411"
                           xFract="0.52655332"
                           y3="2.10921"
                           yFract="0.2499064"
                           z3="6.38257"
                           zFract="0.28724437"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33842"
                           xFract="0.75099763"
                           y3="8.32808"
                           yFract="0.98673934"
                           z3="6.2818"
                           zFract="0.28270927"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21897"
                           xFract="0.49987796"
                           y3="8.31869"
                           yFract="0.98562678"
                           z3="4.20391"
                           zFract="0.18919487"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46858"
                           xFract="0.52945261"
                           y3="-0.21897"
                           yFract="-0.02594431"
                           z3="8.4969"
                           zFract="0.38239874"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28285"
                           xFract="0.74441351"
                           y3="2.07428"
                           yFract="0.24576777"
                           z3="4.04977"
                           zFract="0.18225788"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.99391"
                           xFract="0.82866232"
                           y3="2.29482"
                           yFract="0.2718981"
                           z3="9.27737"
                           zFract="0.4175234"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41288"
                           xFract="0.99678673"
                           y3="6.53554"
                           yFract="0.77435308"
                           z3="6.34301"
                           zFract="0.285464"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94246"
                           xFract="0.23014929"
                           y3="4.24821"
                           yFract="0.50334242"
                           z3="6.50262"
                           zFract="0.29264716"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02974"
                           xFract="0.0035237"
                           y3="4.19547"
                           yFract="0.4970936"
                           z3="4.13043"
                           zFract="0.18588794"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.90392"
                           xFract="0.10709953"
                           y3="3.53956"
                           yFract="0.41937915"
                           z3="9.91149"
                           zFract="0.44606166"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21162"
                           xFract="0.26204028"
                           y3="6.32013"
                           yFract="0.74883057"
                           z3="4.28735"
                           zFract="0.19295005"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88777"
                           xFract="0.22366943"
                           y3="6.44472"
                           yFract="0.76359242"
                           z3="8.48149"
                           zFract="0.38170522"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25109"
                           xFract="0.50368365"
                           y3="6.32876"
                           yFract="0.74985308"
                           z3="6.21507"
                           zFract="0.27970612"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42111"
                           xFract="0.76079502"
                           y3="4.3020"
                           yFract="0.50971564"
                           z3="6.28117"
                           zFract="0.28268092"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18319"
                           xFract="0.49563863"
                           y3="4.3554"
                           yFract="0.51604265"
                           z3="4.29408"
                           zFract="0.19325293"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05615"
                           xFract="0.48058649"
                           y3="4.40367"
                           yFract="0.52176185"
                           z3="8.55202"
                           zFract="0.38487939"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19112"
                           xFract="0.73354502"
                           y3="6.36605"
                           yFract="0.75427133"
                           z3="4.20358"
                           zFract="0.18918002"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60537"
                           xFract="0.78262678"
                           y3="5.96804"
                           yFract="0.70711374"
                           z3="8.41676"
                           zFract="0.37879208"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.245">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20507"
                           xFract="0.02429739"
                           y3="3.86721"
                           yFract="0.45820024"
                           z3="10.5003"
                           zFract="0.47256076"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05525"
                           xFract="-0.00654621"
                           y3="6.53654"
                           yFract="0.77447156"
                           z3="8.42465"
                           zFract="0.37914716"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34102"
                           xFract="0.75130569"
                           y3="0.0140"
                           yFract="0.00165877"
                           z3="4.2428"
                           zFract="0.19094509"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.34624"
                           xFract="0.0410237"
                           y3="1.92189"
                           yFract="0.22771209"
                           z3="9.06639"
                           zFract="0.40802835"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36939"
                           xFract="0.75466706"
                           y3="6.30874"
                           yFract="0.74748104"
                           z3="6.33732"
                           zFract="0.28520792"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20894"
                           xFract="0.49868957"
                           y3="6.33221"
                           yFract="0.75026185"
                           z3="4.22005"
                           zFract="0.18992124"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41265"
                           xFract="0.99675948"
                           y3="0.08627"
                           yFract="0.01022156"
                           z3="6.36634"
                           zFract="0.28651395"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42199"
                           xFract="0.99786611"
                           y3="2.11254"
                           yFract="0.25030095"
                           z3="4.19804"
                           zFract="0.18893069"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07753"
                           xFract="0.24615284"
                           y3="4.43152"
                           yFract="0.52506161"
                           z3="8.60224"
                           zFract="0.38713951"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08994"
                           xFract="0.24762322"
                           y3="4.20703"
                           yFract="0.49846327"
                           z3="4.28557"
                           zFract="0.19286994"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07339"
                           xFract="0.24566232"
                           y3="6.35708"
                           yFract="0.75320853"
                           z3="6.37795"
                           zFract="0.28703645"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10856"
                           xFract="0.24982938"
                           y3="0.01274"
                           yFract="0.00150948"
                           z3="4.23543"
                           zFract="0.19061341"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28894"
                           xFract="0.50816825"
                           y3="0.00132"
                           yFract="0.0001564"
                           z3="6.33038"
                           zFract="0.28489559"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37696"
                           xFract="0.75556398"
                           y3="2.13931"
                           yFract="0.25347275"
                           z3="6.37841"
                           zFract="0.28705716"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82057"
                           xFract="0.80812441"
                           y3="4.0646"
                           yFract="0.48158768"
                           z3="8.6592"
                           zFract="0.38970297"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1021"
                           xFract="0.48603081"
                           y3="2.39474"
                           yFract="0.28373697"
                           z3="8.49796"
                           zFract="0.38244644"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43475"
                           xFract="0.99937796"
                           y3="6.31424"
                           yFract="0.7481327"
                           z3="4.25194"
                           zFract="0.19135644"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39977"
                           xFract="0.99523341"
                           y3="4.16702"
                           yFract="0.49372275"
                           z3="6.47837"
                           zFract="0.29155581"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2142"
                           xFract="0.4993128"
                           y3="2.12078"
                           yFract="0.25127725"
                           z3="4.24986"
                           zFract="0.19126283"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03211"
                           xFract="0.24077133"
                           y3="2.07493"
                           yFract="0.24584479"
                           z3="6.44803"
                           zFract="0.29019037"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36272"
                           xFract="0.75387678"
                           y3="4.20927"
                           yFract="0.49872867"
                           z3="4.24281"
                           zFract="0.19094554"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64482"
                           xFract="0.55033412"
                           y3="6.26109"
                           yFract="0.74183531"
                           z3="8.58745"
                           zFract="0.3864739"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27314"
                           xFract="0.50629621"
                           y3="4.2181"
                           yFract="0.49977488"
                           z3="6.47456"
                           zFract="0.29138434"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36321"
                           xFract="0.28000118"
                           y3="-0.11951"
                           yFract="-0.01415995"
                           z3="8.48824"
                           zFract="0.382009"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27285"
                           xFract="0.74322867"
                           y3="0.60031"
                           yFract="0.07112678"
                           z3="8.50556"
                           zFract="0.38278848"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28107"
                           xFract="0.98116943"
                           y3="2.02478"
                           yFract="0.23990284"
                           z3="6.22208"
                           zFract="0.2800216"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20305"
                           xFract="0.26102488"
                           y3="8.42495"
                           yFract="0.99821682"
                           z3="6.30548"
                           zFract="0.28377498"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01143"
                           xFract="0.00135427"
                           y3="0.01559"
                           yFract="0.00184716"
                           z3="4.2555"
                           zFract="0.19151665"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29107"
                           xFract="0.98235427"
                           y3="0.18224"
                           yFract="0.02159242"
                           z3="8.36235"
                           zFract="0.37634338"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13175"
                           xFract="0.25257701"
                           y3="2.12225"
                           yFract="0.25145142"
                           z3="4.32255"
                           zFract="0.1945342"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14155"
                           xFract="0.25373815"
                           y3="1.81134"
                           yFract="0.21461374"
                           z3="8.50514"
                           zFract="0.38276958"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44376"
                           xFract="0.52651185"
                           y3="2.10908"
                           yFract="0.249891"
                           z3="6.38234"
                           zFract="0.28723402"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33904"
                           xFract="0.75107109"
                           y3="8.32804"
                           yFract="0.9867346"
                           z3="6.28165"
                           zFract="0.28270252"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21918"
                           xFract="0.49990284"
                           y3="8.31849"
                           yFract="0.98560308"
                           z3="4.20325"
                           zFract="0.18916517"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.46954"
                           xFract="0.52956635"
                           y3="-0.21955"
                           yFract="-0.02601303"
                           z3="8.49609"
                           zFract="0.38236229"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28389"
                           xFract="0.74453673"
                           y3="2.07355"
                           yFract="0.24568128"
                           z3="4.05052"
                           zFract="0.18229163"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.99624"
                           xFract="0.82893839"
                           y3="2.29595"
                           yFract="0.27203199"
                           z3="9.28079"
                           zFract="0.41767732"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41323"
                           xFract="0.9968282"
                           y3="6.53511"
                           yFract="0.77430213"
                           z3="6.34276"
                           zFract="0.28545275"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94209"
                           xFract="0.23010545"
                           y3="4.24708"
                           yFract="0.50320853"
                           z3="6.50399"
                           zFract="0.29270882"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02989"
                           xFract="0.00354147"
                           y3="4.19534"
                           yFract="0.4970782"
                           z3="4.12996"
                           zFract="0.18586679"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.90896"
                           xFract="0.10769668"
                           y3="3.53592"
                           yFract="0.41894787"
                           z3="9.91923"
                           zFract="0.44640999"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21145"
                           xFract="0.26202014"
                           y3="6.31972"
                           yFract="0.74878199"
                           z3="4.28735"
                           zFract="0.19295005"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88679"
                           xFract="0.22355332"
                           y3="6.44444"
                           yFract="0.76355924"
                           z3="8.48229"
                           zFract="0.38174122"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25138"
                           xFract="0.50371801"
                           y3="6.32843"
                           yFract="0.74981398"
                           z3="6.21439"
                           zFract="0.27967552"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42168"
                           xFract="0.76086256"
                           y3="4.30248"
                           yFract="0.50977251"
                           z3="6.2802"
                           zFract="0.28263726"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18357"
                           xFract="0.49568365"
                           y3="4.35519"
                           yFract="0.51601777"
                           z3="4.29436"
                           zFract="0.19326553"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05628"
                           xFract="0.4806019"
                           y3="4.40477"
                           yFract="0.52189218"
                           z3="8.55207"
                           zFract="0.38488164"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19121"
                           xFract="0.73355569"
                           y3="6.36596"
                           yFract="0.75426066"
                           z3="4.20334"
                           zFract="0.18916922"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60547"
                           xFract="0.78263863"
                           y3="5.96881"
                           yFract="0.70720498"
                           z3="8.41697"
                           zFract="0.37880153"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.246">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20524"
                           xFract="0.02431754"
                           y3="3.86761"
                           yFract="0.45824763"
                           z3="10.49575"
                           zFract="0.47235599"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05565"
                           xFract="-0.0065936"
                           y3="6.53652"
                           yFract="0.77446919"
                           z3="8.42468"
                           zFract="0.37914851"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3411"
                           xFract="0.75131517"
                           y3="0.0136"
                           yFract="0.00161137"
                           z3="4.24265"
                           zFract="0.19093834"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.34838"
                           xFract="0.04127725"
                           y3="1.92117"
                           yFract="0.22762678"
                           z3="9.06728"
                           zFract="0.40806841"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36941"
                           xFract="0.75466943"
                           y3="6.30855"
                           yFract="0.74745853"
                           z3="6.33734"
                           zFract="0.28520882"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20907"
                           xFract="0.49870498"
                           y3="6.33247"
                           yFract="0.75029265"
                           z3="4.22039"
                           zFract="0.18993654"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41267"
                           xFract="0.99676185"
                           y3="0.08581"
                           yFract="0.01016706"
                           z3="6.36591"
                           zFract="0.2864946"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42227"
                           xFract="0.99789929"
                           y3="2.11226"
                           yFract="0.25026777"
                           z3="4.1985"
                           zFract="0.1889514"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07673"
                           xFract="0.24605806"
                           y3="4.43135"
                           yFract="0.52504147"
                           z3="8.6033"
                           zFract="0.38718722"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09009"
                           xFract="0.247641"
                           y3="4.20698"
                           yFract="0.49845735"
                           z3="4.28526"
                           zFract="0.19285599"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07343"
                           xFract="0.24566706"
                           y3="6.35719"
                           yFract="0.75322156"
                           z3="6.37795"
                           zFract="0.28703645"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10853"
                           xFract="0.24982583"
                           y3="0.01287"
                           yFract="0.00152488"
                           z3="4.23565"
                           zFract="0.19062331"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.28959"
                           xFract="0.50824526"
                           y3="0.00099"
                           yFract="0.0001173"
                           z3="6.33006"
                           zFract="0.28488119"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37671"
                           xFract="0.75553436"
                           y3="2.13955"
                           yFract="0.25350118"
                           z3="6.37761"
                           zFract="0.28702115"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82099"
                           xFract="0.80817417"
                           y3="4.06479"
                           yFract="0.48161019"
                           z3="8.66039"
                           zFract="0.38975653"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10134"
                           xFract="0.48594076"
                           y3="2.39578"
                           yFract="0.28386019"
                           z3="8.49771"
                           zFract="0.38243519"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43449"
                           xFract="0.99934716"
                           y3="6.31445"
                           yFract="0.74815758"
                           z3="4.25228"
                           zFract="0.19137174"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40003"
                           xFract="0.99526422"
                           y3="4.16663"
                           yFract="0.49367654"
                           z3="6.47876"
                           zFract="0.29157336"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21446"
                           xFract="0.4993436"
                           y3="2.12072"
                           yFract="0.25127014"
                           z3="4.25036"
                           zFract="0.19128533"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03196"
                           xFract="0.24075355"
                           y3="2.07408"
                           yFract="0.24574408"
                           z3="6.44805"
                           zFract="0.29019127"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36278"
                           xFract="0.75388389"
                           y3="4.20936"
                           yFract="0.49873934"
                           z3="4.24237"
                           zFract="0.19092574"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6457"
                           xFract="0.55043839"
                           y3="6.26062"
                           yFract="0.74177962"
                           z3="8.58809"
                           zFract="0.3865027"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27332"
                           xFract="0.50631754"
                           y3="4.21803"
                           yFract="0.49976659"
                           z3="6.47461"
                           zFract="0.29138659"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36413"
                           xFract="0.28011019"
                           y3="-0.12015"
                           yFract="-0.01423578"
                           z3="8.48889"
                           zFract="0.38203825"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27283"
                           xFract="0.7432263"
                           y3="0.60177"
                           yFract="0.07129976"
                           z3="8.50737"
                           zFract="0.38286994"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28096"
                           xFract="0.9811564"
                           y3="2.02487"
                           yFract="0.23991351"
                           z3="6.2224"
                           zFract="0.280036"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20391"
                           xFract="0.26112678"
                           y3="8.42513"
                           yFract="0.99823815"
                           z3="6.30536"
                           zFract="0.28376958"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01148"
                           xFract="0.00136019"
                           y3="0.0154"
                           yFract="0.00182464"
                           z3="4.25564"
                           zFract="0.19152295"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2909"
                           xFract="0.98233412"
                           y3="0.1825"
                           yFract="0.02162322"
                           z3="8.36219"
                           zFract="0.37633618"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13174"
                           xFract="0.25257583"
                           y3="2.1223"
                           yFract="0.25145735"
                           z3="4.3226"
                           zFract="0.19453645"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14241"
                           xFract="0.25384005"
                           y3="1.81065"
                           yFract="0.21453199"
                           z3="8.50481"
                           zFract="0.38275473"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44356"
                           xFract="0.52648815"
                           y3="2.1090"
                           yFract="0.24988152"
                           z3="6.3822"
                           zFract="0.28722772"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33941"
                           xFract="0.75111493"
                           y3="8.32802"
                           yFract="0.98673223"
                           z3="6.28157"
                           zFract="0.28269892"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21931"
                           xFract="0.49991825"
                           y3="8.31837"
                           yFract="0.98558886"
                           z3="4.20285"
                           zFract="0.18914716"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47012"
                           xFract="0.52963507"
                           y3="-0.2199"
                           yFract="-0.0260545"
                           z3="8.49559"
                           zFract="0.38233978"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28452"
                           xFract="0.74461137"
                           y3="2.07312"
                           yFract="0.24563033"
                           z3="4.05097"
                           zFract="0.18231188"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.99764"
                           xFract="0.82910427"
                           y3="2.29663"
                           yFract="0.27211256"
                           z3="9.28285"
                           zFract="0.41777003"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41344"
                           xFract="0.99685308"
                           y3="6.53485"
                           yFract="0.77427133"
                           z3="6.34261"
                           zFract="0.28544599"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94187"
                           xFract="0.23007938"
                           y3="4.2464"
                           yFract="0.50312796"
                           z3="6.50482"
                           zFract="0.29274617"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.02997"
                           xFract="0.00355095"
                           y3="4.19526"
                           yFract="0.49706872"
                           z3="4.12968"
                           zFract="0.18585419"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.91199"
                           xFract="0.10805569"
                           y3="3.53372"
                           yFract="0.4186872"
                           z3="9.9239"
                           zFract="0.44662016"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21135"
                           xFract="0.26200829"
                           y3="6.31947"
                           yFract="0.74875237"
                           z3="4.28735"
                           zFract="0.19295005"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8862"
                           xFract="0.22348341"
                           y3="6.44427"
                           yFract="0.7635391"
                           z3="8.48277"
                           zFract="0.38176283"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25156"
                           xFract="0.50373934"
                           y3="6.32823"
                           yFract="0.74979028"
                           z3="6.21398"
                           zFract="0.27965707"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42202"
                           xFract="0.76090284"
                           y3="4.30278"
                           yFract="0.50980806"
                           z3="6.27961"
                           zFract="0.28261071"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1838"
                           xFract="0.4957109"
                           y3="4.35506"
                           yFract="0.51600237"
                           z3="4.29453"
                           zFract="0.19327318"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05637"
                           xFract="0.48061256"
                           y3="4.40542"
                           yFract="0.52196919"
                           z3="8.55209"
                           zFract="0.38488254"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19126"
                           xFract="0.73356161"
                           y3="6.3659"
                           yFract="0.75425355"
                           z3="4.20319"
                           zFract="0.18916247"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60553"
                           xFract="0.78264573"
                           y3="5.96927"
                           yFract="0.70725948"
                           z3="8.41711"
                           zFract="0.37880783"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.247">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20388"
                           xFract="0.0241564"
                           y3="3.86909"
                           yFract="0.45842299"
                           z3="10.49168"
                           zFract="0.47217282"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05605"
                           xFract="-0.006641"
                           y3="6.53637"
                           yFract="0.77445142"
                           z3="8.4248"
                           zFract="0.37915392"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34125"
                           xFract="0.75133294"
                           y3="0.01316"
                           yFract="0.00155924"
                           z3="4.24251"
                           zFract="0.19093204"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35116"
                           xFract="0.04160664"
                           y3="1.92058"
                           yFract="0.22755687"
                           z3="9.06818"
                           zFract="0.40810891"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36941"
                           xFract="0.75466943"
                           y3="6.30845"
                           yFract="0.74744668"
                           z3="6.33745"
                           zFract="0.28521377"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20916"
                           xFract="0.49871564"
                           y3="6.33265"
                           yFract="0.75031398"
                           z3="4.22082"
                           zFract="0.1899559"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41279"
                           xFract="0.99677607"
                           y3="0.08519"
                           yFract="0.0100936"
                           z3="6.36507"
                           zFract="0.2864568"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42257"
                           xFract="0.99793483"
                           y3="2.11195"
                           yFract="0.25023104"
                           z3="4.19928"
                           zFract="0.1889865"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0760"
                           xFract="0.24597156"
                           y3="4.43081"
                           yFract="0.52497749"
                           z3="8.60452"
                           zFract="0.38724212"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09023"
                           xFract="0.24765758"
                           y3="4.20701"
                           yFract="0.4984609"
                           z3="4.28494"
                           zFract="0.19284158"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07348"
                           xFract="0.24567299"
                           y3="6.35708"
                           yFract="0.75320853"
                           z3="6.3780"
                           zFract="0.2870387"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10848"
                           xFract="0.24981991"
                           y3="0.0130"
                           yFract="0.00154028"
                           z3="4.23592"
                           zFract="0.19063546"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29031"
                           xFract="0.50833057"
                           y3="0.00064"
                           yFract="0.00007583"
                           z3="6.32973"
                           zFract="0.28486634"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37621"
                           xFract="0.75547512"
                           y3="2.1397"
                           yFract="0.25351896"
                           z3="6.37674"
                           zFract="0.286982"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82117"
                           xFract="0.8081955"
                           y3="4.06526"
                           yFract="0.48166588"
                           z3="8.66205"
                           zFract="0.38983123"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10084"
                           xFract="0.48588152"
                           y3="2.39681"
                           yFract="0.28398223"
                           z3="8.4975"
                           zFract="0.38242574"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43414"
                           xFract="0.99930569"
                           y3="6.31464"
                           yFract="0.74818009"
                           z3="4.25257"
                           zFract="0.19138479"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40033"
                           xFract="0.99529976"
                           y3="4.16619"
                           yFract="0.49362441"
                           z3="6.47919"
                           zFract="0.29159271"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21471"
                           xFract="0.49937322"
                           y3="2.12062"
                           yFract="0.25125829"
                           z3="4.25095"
                           zFract="0.19131188"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03184"
                           xFract="0.24073934"
                           y3="2.0730"
                           yFract="0.24561611"
                           z3="6.44805"
                           zFract="0.29019127"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36288"
                           xFract="0.75389573"
                           y3="4.20949"
                           yFract="0.49875474"
                           z3="4.24194"
                           zFract="0.19090639"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64644"
                           xFract="0.55052607"
                           y3="6.26026"
                           yFract="0.74173697"
                           z3="8.58871"
                           zFract="0.3865306"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27353"
                           xFract="0.50634242"
                           y3="4.21797"
                           yFract="0.49975948"
                           z3="6.47446"
                           zFract="0.29137984"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36499"
                           xFract="0.28021209"
                           y3="-0.12078"
                           yFract="-0.01431043"
                           z3="8.48963"
                           zFract="0.38207156"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27282"
                           xFract="0.74322512"
                           y3="0.60325"
                           yFract="0.07147512"
                           z3="8.50973"
                           zFract="0.38297615"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.28055"
                           xFract="0.98110782"
                           y3="2.02508"
                           yFract="0.23993839"
                           z3="6.2229"
                           zFract="0.28005851"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20497"
                           xFract="0.26125237"
                           y3="8.42535"
                           yFract="0.99826422"
                           z3="6.30528"
                           zFract="0.28376598"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01168"
                           xFract="0.00138389"
                           y3="0.01523"
                           yFract="0.0018045"
                           z3="4.25581"
                           zFract="0.1915306"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29076"
                           xFract="0.98231754"
                           y3="0.18281"
                           yFract="0.02165995"
                           z3="8.36229"
                           zFract="0.37634068"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13175"
                           xFract="0.25257701"
                           y3="2.12234"
                           yFract="0.25146209"
                           z3="4.32252"
                           zFract="0.19453285"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14355"
                           xFract="0.25397512"
                           y3="1.81003"
                           yFract="0.21445853"
                           z3="8.5046"
                           zFract="0.38274527"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44338"
                           xFract="0.52646682"
                           y3="2.10889"
                           yFract="0.24986848"
                           z3="6.38203"
                           zFract="0.28722007"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33987"
                           xFract="0.75116943"
                           y3="8.32814"
                           yFract="0.98674645"
                           z3="6.28158"
                           zFract="0.28269937"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21948"
                           xFract="0.49993839"
                           y3="8.3182"
                           yFract="0.98556872"
                           z3="4.20219"
                           zFract="0.18911746"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47082"
                           xFract="0.52971801"
                           y3="-0.22027"
                           yFract="-0.02609834"
                           z3="8.49488"
                           zFract="0.38230783"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28538"
                           xFract="0.74471327"
                           y3="2.07257"
                           yFract="0.24556517"
                           z3="4.05137"
                           zFract="0.18232988"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.99876"
                           xFract="0.82923697"
                           y3="2.29752"
                           yFract="0.27221801"
                           z3="9.28518"
                           zFract="0.41787489"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41358"
                           xFract="0.99686967"
                           y3="6.53439"
                           yFract="0.77421682"
                           z3="6.34249"
                           zFract="0.28544059"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9415"
                           xFract="0.23003555"
                           y3="4.24549"
                           yFract="0.50302014"
                           z3="6.5059"
                           zFract="0.29279478"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03016"
                           xFract="0.00357346"
                           y3="4.19508"
                           yFract="0.49704739"
                           z3="4.12935"
                           zFract="0.18583933"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.91692"
                           xFract="0.10863981"
                           y3="3.53058"
                           yFract="0.41831517"
                           z3="9.92708"
                           zFract="0.44676328"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21118"
                           xFract="0.26198815"
                           y3="6.31913"
                           yFract="0.74871209"
                           z3="4.28732"
                           zFract="0.19294869"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8855"
                           xFract="0.22340047"
                           y3="6.44375"
                           yFract="0.76347749"
                           z3="8.48335"
                           zFract="0.38178893"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2517"
                           xFract="0.50375592"
                           y3="6.32802"
                           yFract="0.7497654"
                           z3="6.21357"
                           zFract="0.27963861"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42251"
                           xFract="0.7609609"
                           y3="4.30325"
                           yFract="0.50986374"
                           z3="6.27887"
                           zFract="0.28257741"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18406"
                           xFract="0.49574171"
                           y3="4.35491"
                           yFract="0.5159846"
                           z3="4.29461"
                           zFract="0.19327678"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05647"
                           xFract="0.48062441"
                           y3="4.40602"
                           yFract="0.52204028"
                           z3="8.55214"
                           zFract="0.38488479"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19126"
                           xFract="0.73356161"
                           y3="6.36584"
                           yFract="0.75424645"
                           z3="4.20298"
                           zFract="0.18915302"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60531"
                           xFract="0.78261967"
                           y3="5.97004"
                           yFract="0.70735071"
                           z3="8.4174"
                           zFract="0.37882088"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.248">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20046"
                           xFract="0.02375118"
                           y3="3.87282"
                           yFract="0.45886493"
                           z3="10.48145"
                           zFract="0.47171242"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05707"
                           xFract="-0.00676185"
                           y3="6.53601"
                           yFract="0.77440877"
                           z3="8.42512"
                           zFract="0.37916832"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34162"
                           xFract="0.75137678"
                           y3="0.01206"
                           yFract="0.00142891"
                           z3="4.24217"
                           zFract="0.19091674"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35815"
                           xFract="0.04243483"
                           y3="1.9191"
                           yFract="0.22738152"
                           z3="9.07044"
                           zFract="0.40821062"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36942"
                           xFract="0.75467062"
                           y3="6.30819"
                           yFract="0.74741588"
                           z3="6.33774"
                           zFract="0.28522682"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20939"
                           xFract="0.49874289"
                           y3="6.33312"
                           yFract="0.75036967"
                           z3="4.2219"
                           zFract="0.1900045"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41309"
                           xFract="0.99681161"
                           y3="0.08364"
                           yFract="0.00990995"
                           z3="6.36296"
                           zFract="0.28636184"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42333"
                           xFract="0.99802488"
                           y3="2.11118"
                           yFract="0.25013981"
                           z3="4.20123"
                           zFract="0.18907426"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07416"
                           xFract="0.24575355"
                           y3="4.42946"
                           yFract="0.52481754"
                           z3="8.60759"
                           zFract="0.38738029"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09058"
                           xFract="0.24769905"
                           y3="4.20707"
                           yFract="0.49846801"
                           z3="4.28412"
                           zFract="0.19280468"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07362"
                           xFract="0.24568957"
                           y3="6.35682"
                           yFract="0.75317773"
                           z3="6.3781"
                           zFract="0.2870432"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10834"
                           xFract="0.24980332"
                           y3="0.01331"
                           yFract="0.00157701"
                           z3="4.2366"
                           zFract="0.19066607"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29214"
                           xFract="0.50854739"
                           y3="-0.00023"
                           yFract="-0.00002725"
                           z3="6.32889"
                           zFract="0.28482853"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37494"
                           xFract="0.75532464"
                           y3="2.14008"
                           yFract="0.25356398"
                           z3="6.37456"
                           zFract="0.28688389"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.8216"
                           xFract="0.80824645"
                           y3="4.06646"
                           yFract="0.48180806"
                           z3="8.6662"
                           zFract="0.390018"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.09958"
                           xFract="0.48573223"
                           y3="2.39941"
                           yFract="0.28429028"
                           z3="8.49698"
                           zFract="0.38240234"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43327"
                           xFract="0.99920261"
                           y3="6.31511"
                           yFract="0.74823578"
                           z3="4.25328"
                           zFract="0.19141674"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40108"
                           xFract="0.99538863"
                           y3="4.16509"
                           yFract="0.49349408"
                           z3="6.48027"
                           zFract="0.29164131"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21534"
                           xFract="0.49944787"
                           y3="2.12034"
                           yFract="0.25122512"
                           z3="4.25244"
                           zFract="0.19137894"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03154"
                           xFract="0.24070379"
                           y3="2.07029"
                           yFract="0.24529502"
                           z3="6.44806"
                           zFract="0.29019172"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36314"
                           xFract="0.75392654"
                           y3="4.20983"
                           yFract="0.49879502"
                           z3="4.24088"
                           zFract="0.19085869"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64829"
                           xFract="0.55074526"
                           y3="6.25937"
                           yFract="0.74163152"
                           z3="8.59027"
                           zFract="0.38660081"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27406"
                           xFract="0.50640521"
                           y3="4.2178"
                           yFract="0.49973934"
                           z3="6.47408"
                           zFract="0.29136274"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36715"
                           xFract="0.28046801"
                           y3="-0.12235"
                           yFract="-0.01449645"
                           z3="8.49148"
                           zFract="0.38215482"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27281"
                           xFract="0.74322393"
                           y3="0.60696"
                           yFract="0.07191469"
                           z3="8.51566"
                           zFract="0.38324302"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27951"
                           xFract="0.9809846"
                           y3="2.02563"
                           yFract="0.24000355"
                           z3="6.22414"
                           zFract="0.28011431"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20763"
                           xFract="0.26156754"
                           y3="8.4259"
                           yFract="0.99832938"
                           z3="6.30509"
                           zFract="0.28375743"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01218"
                           xFract="0.00144313"
                           y3="0.0148"
                           yFract="0.00175355"
                           z3="4.25624"
                           zFract="0.19154995"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29042"
                           xFract="0.98227725"
                           y3="0.18358"
                           yFract="0.02175118"
                           z3="8.36255"
                           zFract="0.37635239"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13179"
                           xFract="0.25258175"
                           y3="2.12243"
                           yFract="0.25147275"
                           z3="4.32232"
                           zFract="0.19452385"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14643"
                           xFract="0.25431635"
                           y3="1.80846"
                           yFract="0.21427251"
                           z3="8.50407"
                           zFract="0.38272142"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44292"
                           xFract="0.52641232"
                           y3="2.1086"
                           yFract="0.24983412"
                           z3="6.38161"
                           zFract="0.28720117"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34104"
                           xFract="0.75130806"
                           y3="8.32843"
                           yFract="0.98678081"
                           z3="6.2816"
                           zFract="0.28270027"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21991"
                           xFract="0.49998934"
                           y3="8.31777"
                           yFract="0.98551777"
                           z3="4.20052"
                           zFract="0.1890423"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47259"
                           xFract="0.52992773"
                           y3="-0.22119"
                           yFract="-0.02620735"
                           z3="8.4931"
                           zFract="0.38222772"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28753"
                           xFract="0.74496801"
                           y3="2.07118"
                           yFract="0.24540047"
                           z3="4.05235"
                           zFract="0.18237399"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00157"
                           xFract="0.82956991"
                           y3="2.29978"
                           yFract="0.27248578"
                           z3="9.29103"
                           zFract="0.41813816"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41394"
                           xFract="0.99691232"
                           y3="6.53321"
                           yFract="0.77407701"
                           z3="6.34218"
                           zFract="0.28542664"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94057"
                           xFract="0.22992536"
                           y3="4.2432"
                           yFract="0.50274882"
                           z3="6.50863"
                           zFract="0.29291764"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03063"
                           xFract="0.00362915"
                           y3="4.19464"
                           yFract="0.49699526"
                           z3="4.1285"
                           zFract="0.18580108"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.9293"
                           xFract="0.11010664"
                           y3="3.52269"
                           yFract="0.41738033"
                           z3="9.93507"
                           zFract="0.44712286"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21076"
                           xFract="0.26193839"
                           y3="6.31825"
                           yFract="0.74860782"
                           z3="4.28724"
                           zFract="0.19294509"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88373"
                           xFract="0.22319076"
                           y3="6.44243"
                           yFract="0.76332109"
                           z3="8.48481"
                           zFract="0.38185464"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25206"
                           xFract="0.50379858"
                           y3="6.32748"
                           yFract="0.74970142"
                           z3="6.21251"
                           zFract="0.27959091"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42374"
                           xFract="0.76110664"
                           y3="4.30446"
                           yFract="0.51000711"
                           z3="6.27702"
                           zFract="0.28249415"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18472"
                           xFract="0.49581991"
                           y3="4.35452"
                           yFract="0.51593839"
                           z3="4.29479"
                           zFract="0.19328488"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05672"
                           xFract="0.48065403"
                           y3="4.40751"
                           yFract="0.52221682"
                           z3="8.55225"
                           zFract="0.38488974"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19127"
                           xFract="0.7335628"
                           y3="6.36569"
                           yFract="0.75422867"
                           z3="4.20244"
                           zFract="0.18912871"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60475"
                           xFract="0.78255332"
                           y3="5.97195"
                           yFract="0.70757701"
                           z3="8.41814"
                           zFract="0.37885419"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.249">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20136"
                           xFract="0.02385782"
                           y3="3.87184"
                           yFract="0.45874882"
                           z3="10.48412"
                           zFract="0.47183258"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0568"
                           xFract="-0.00672986"
                           y3="6.53611"
                           yFract="0.77442062"
                           z3="8.42503"
                           zFract="0.37916427"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34152"
                           xFract="0.75136493"
                           y3="0.01235"
                           yFract="0.00146327"
                           z3="4.24226"
                           zFract="0.19092079"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35632"
                           xFract="0.04221801"
                           y3="1.91949"
                           yFract="0.22742773"
                           z3="9.06985"
                           zFract="0.40818407"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36942"
                           xFract="0.75467062"
                           y3="6.30826"
                           yFract="0.74742417"
                           z3="6.33767"
                           zFract="0.28522367"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20933"
                           xFract="0.49873578"
                           y3="6.3330"
                           yFract="0.75035545"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41301"
                           xFract="0.99680213"
                           y3="0.08404"
                           yFract="0.00995735"
                           z3="6.36351"
                           zFract="0.28638659"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42313"
                           xFract="0.99800118"
                           y3="2.11139"
                           yFract="0.25016469"
                           z3="4.20072"
                           zFract="0.18905131"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07464"
                           xFract="0.24581043"
                           y3="4.42981"
                           yFract="0.524859"
                           z3="8.60679"
                           zFract="0.38734428"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09048"
                           xFract="0.2476872"
                           y3="4.20706"
                           yFract="0.49846682"
                           z3="4.28434"
                           zFract="0.19281458"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07358"
                           xFract="0.24568483"
                           y3="6.35689"
                           yFract="0.75318602"
                           z3="6.37807"
                           zFract="0.28704185"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10838"
                           xFract="0.24980806"
                           y3="0.01323"
                           yFract="0.00156754"
                           z3="4.23643"
                           zFract="0.19065842"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29167"
                           xFract="0.50849171"
                           y3="-0.0000"
                           yFract="0.0000"
                           z3="6.32911"
                           zFract="0.28483843"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37527"
                           xFract="0.75536374"
                           y3="2.13998"
                           yFract="0.25355213"
                           z3="6.37513"
                           zFract="0.28690954"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82148"
                           xFract="0.80823223"
                           y3="4.06615"
                           yFract="0.48177133"
                           z3="8.66512"
                           zFract="0.3899694"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.0999"
                           xFract="0.48577014"
                           y3="2.39873"
                           yFract="0.28420972"
                           z3="8.49712"
                           zFract="0.38240864"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4335"
                           xFract="0.99922986"
                           y3="6.31498"
                           yFract="0.74822038"
                           z3="4.25309"
                           zFract="0.19140819"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40088"
                           xFract="0.99536493"
                           y3="4.16538"
                           yFract="0.49352844"
                           z3="6.47999"
                           zFract="0.29162871"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21518"
                           xFract="0.49942891"
                           y3="2.12042"
                           yFract="0.2512346"
                           z3="4.25205"
                           zFract="0.19136139"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03161"
                           xFract="0.24071209"
                           y3="2.0710"
                           yFract="0.24537915"
                           z3="6.44806"
                           zFract="0.29019172"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36307"
                           xFract="0.75391825"
                           y3="4.20974"
                           yFract="0.49878436"
                           z3="4.24116"
                           zFract="0.19087129"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64781"
                           xFract="0.55068839"
                           y3="6.2596"
                           yFract="0.74165877"
                           z3="8.58986"
                           zFract="0.38658236"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27392"
                           xFract="0.50638863"
                           y3="4.21785"
                           yFract="0.49974526"
                           z3="6.47418"
                           zFract="0.29136724"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36659"
                           xFract="0.28040166"
                           y3="-0.12194"
                           yFract="-0.01444787"
                           z3="8.4910"
                           zFract="0.38213321"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27281"
                           xFract="0.74322393"
                           y3="0.60599"
                           yFract="0.07179976"
                           z3="8.51411"
                           zFract="0.38317327"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27978"
                           xFract="0.98101659"
                           y3="2.02549"
                           yFract="0.23998697"
                           z3="6.22382"
                           zFract="0.28009991"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20694"
                           xFract="0.26148578"
                           y3="8.42575"
                           yFract="0.99831161"
                           z3="6.30514"
                           zFract="0.28375968"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01205"
                           xFract="0.00142773"
                           y3="0.01491"
                           yFract="0.00176659"
                           z3="4.25613"
                           zFract="0.191545"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29051"
                           xFract="0.98228791"
                           y3="0.18338"
                           yFract="0.02172749"
                           z3="8.36248"
                           zFract="0.37634923"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13178"
                           xFract="0.25258057"
                           y3="2.12241"
                           yFract="0.25147038"
                           z3="4.32237"
                           zFract="0.1945261"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14568"
                           xFract="0.25422749"
                           y3="1.80887"
                           yFract="0.21432109"
                           z3="8.50421"
                           zFract="0.38272772"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44304"
                           xFract="0.52642654"
                           y3="2.10867"
                           yFract="0.24984242"
                           z3="6.38172"
                           zFract="0.28720612"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34073"
                           xFract="0.75127133"
                           y3="8.32836"
                           yFract="0.98677251"
                           z3="6.28159"
                           zFract="0.28269982"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2198"
                           xFract="0.4999763"
                           y3="8.31788"
                           yFract="0.98553081"
                           z3="4.20096"
                           zFract="0.18906211"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47212"
                           xFract="0.52987204"
                           y3="-0.22095"
                           yFract="-0.02617891"
                           z3="8.49356"
                           zFract="0.38224842"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28697"
                           xFract="0.74490166"
                           y3="2.07154"
                           yFract="0.24544313"
                           z3="4.0521"
                           zFract="0.18236274"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00084"
                           xFract="0.82948341"
                           y3="2.29919"
                           yFract="0.27241588"
                           z3="9.28951"
                           zFract="0.41806976"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41384"
                           xFract="0.99690047"
                           y3="6.53352"
                           yFract="0.77411374"
                           z3="6.34226"
                           zFract="0.28543024"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94081"
                           xFract="0.22995379"
                           y3="4.2438"
                           yFract="0.50281991"
                           z3="6.50792"
                           zFract="0.29288569"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0305"
                           xFract="0.00361374"
                           y3="4.19476"
                           yFract="0.49700948"
                           z3="4.12872"
                           zFract="0.18581098"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.92607"
                           xFract="0.10972393"
                           y3="3.52475"
                           yFract="0.41762441"
                           z3="9.93299"
                           zFract="0.44702925"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21087"
                           xFract="0.26195142"
                           y3="6.31848"
                           yFract="0.74863507"
                           z3="4.28726"
                           zFract="0.19294599"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88419"
                           xFract="0.22324526"
                           y3="6.44277"
                           yFract="0.76336137"
                           z3="8.48443"
                           zFract="0.38183753"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25196"
                           xFract="0.50378673"
                           y3="6.32762"
                           yFract="0.74971801"
                           z3="6.21279"
                           zFract="0.27960351"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42342"
                           xFract="0.76106872"
                           y3="4.30415"
                           yFract="0.50997038"
                           z3="6.27751"
                           zFract="0.2825162"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18455"
                           xFract="0.49579976"
                           y3="4.35462"
                           yFract="0.51595024"
                           z3="4.29475"
                           zFract="0.19328308"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05666"
                           xFract="0.48064692"
                           y3="4.40712"
                           yFract="0.52217062"
                           z3="8.55222"
                           zFract="0.38488839"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19127"
                           xFract="0.7335628"
                           y3="6.36573"
                           yFract="0.75423341"
                           z3="4.20258"
                           zFract="0.18913501"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.6049"
                           xFract="0.78257109"
                           y3="5.97145"
                           yFract="0.70751777"
                           z3="8.41795"
                           zFract="0.37884563"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.250">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20158"
                           xFract="0.02388389"
                           y3="3.8716"
                           yFract="0.45872038"
                           z3="10.48479"
                           zFract="0.47186274"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05674"
                           xFract="-0.00672275"
                           y3="6.53613"
                           yFract="0.77442299"
                           z3="8.42501"
                           zFract="0.37916337"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3415"
                           xFract="0.75136256"
                           y3="0.01242"
                           yFract="0.00147156"
                           z3="4.24228"
                           zFract="0.19092169"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35587"
                           xFract="0.04216469"
                           y3="1.91959"
                           yFract="0.22743957"
                           z3="9.0697"
                           zFract="0.40817732"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36942"
                           xFract="0.75467062"
                           y3="6.30828"
                           yFract="0.74742654"
                           z3="6.33765"
                           zFract="0.28522277"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20932"
                           xFract="0.4987346"
                           y3="6.33297"
                           yFract="0.7503519"
                           z3="4.22154"
                           zFract="0.1899883"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41299"
                           xFract="0.99679976"
                           y3="0.08414"
                           yFract="0.00996919"
                           z3="6.36365"
                           zFract="0.28639289"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42308"
                           xFract="0.99799526"
                           y3="2.11144"
                           yFract="0.25017062"
                           z3="4.20059"
                           zFract="0.18904545"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07476"
                           xFract="0.24582464"
                           y3="4.4299"
                           yFract="0.52486967"
                           z3="8.60659"
                           zFract="0.38733528"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09046"
                           xFract="0.24768483"
                           y3="4.20705"
                           yFract="0.49846564"
                           z3="4.28439"
                           zFract="0.19281683"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07357"
                           xFract="0.24568365"
                           y3="6.35691"
                           yFract="0.75318839"
                           z3="6.37807"
                           zFract="0.28704185"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10839"
                           xFract="0.24980924"
                           y3="0.01321"
                           yFract="0.00156517"
                           z3="4.23638"
                           zFract="0.19065617"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29155"
                           xFract="0.50847749"
                           y3="0.00005"
                           yFract="0.00000592"
                           z3="6.32917"
                           zFract="0.28484113"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37535"
                           xFract="0.75537322"
                           y3="2.13996"
                           yFract="0.25354976"
                           z3="6.37527"
                           zFract="0.28691584"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82146"
                           xFract="0.80822986"
                           y3="4.06607"
                           yFract="0.48176185"
                           z3="8.66485"
                           zFract="0.38995725"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.09999"
                           xFract="0.48578081"
                           y3="2.39856"
                           yFract="0.28418957"
                           z3="8.49715"
                           zFract="0.38240999"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43356"
                           xFract="0.99923697"
                           y3="6.31495"
                           yFract="0.74821682"
                           z3="4.25305"
                           zFract="0.19140639"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40083"
                           xFract="0.995359"
                           y3="4.16545"
                           yFract="0.49353673"
                           z3="6.47992"
                           zFract="0.29162556"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21514"
                           xFract="0.49942417"
                           y3="2.12043"
                           yFract="0.25123578"
                           z3="4.25195"
                           zFract="0.19135689"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03163"
                           xFract="0.24071445"
                           y3="2.07118"
                           yFract="0.24540047"
                           z3="6.44806"
                           zFract="0.29019172"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36305"
                           xFract="0.75391588"
                           y3="4.20972"
                           yFract="0.49878199"
                           z3="4.24123"
                           zFract="0.19087444"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64769"
                           xFract="0.55067417"
                           y3="6.25966"
                           yFract="0.74166588"
                           z3="8.58976"
                           zFract="0.38657786"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27389"
                           xFract="0.50638507"
                           y3="4.21786"
                           yFract="0.49974645"
                           z3="6.4742"
                           zFract="0.29136814"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36645"
                           xFract="0.28038507"
                           y3="-0.12183"
                           yFract="-0.01443483"
                           z3="8.49088"
                           zFract="0.38212781"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27281"
                           xFract="0.74322393"
                           y3="0.60575"
                           yFract="0.07177133"
                           z3="8.51373"
                           zFract="0.38315617"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27985"
                           xFract="0.98102488"
                           y3="2.02546"
                           yFract="0.23998341"
                           z3="6.22374"
                           zFract="0.28009631"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20677"
                           xFract="0.26146564"
                           y3="8.42572"
                           yFract="0.99830806"
                           z3="6.30515"
                           zFract="0.28376013"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01202"
                           xFract="0.00142417"
                           y3="0.01494"
                           yFract="0.00177014"
                           z3="4.2561"
                           zFract="0.19154365"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29053"
                           xFract="0.98229028"
                           y3="0.18333"
                           yFract="0.02172156"
                           z3="8.36246"
                           zFract="0.37634833"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13178"
                           xFract="0.25258057"
                           y3="2.1224"
                           yFract="0.25146919"
                           z3="4.32239"
                           zFract="0.194527"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14549"
                           xFract="0.25420498"
                           y3="1.80897"
                           yFract="0.21433294"
                           z3="8.50425"
                           zFract="0.38272952"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44307"
                           xFract="0.52643009"
                           y3="2.10869"
                           yFract="0.24984479"
                           z3="6.38175"
                           zFract="0.28720747"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34066"
                           xFract="0.75126303"
                           y3="8.32834"
                           yFract="0.98677014"
                           z3="6.28159"
                           zFract="0.28269982"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21977"
                           xFract="0.49997275"
                           y3="8.31791"
                           yFract="0.98553436"
                           z3="4.20107"
                           zFract="0.18906706"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47201"
                           xFract="0.529859"
                           y3="-0.22089"
                           yFract="-0.0261718"
                           z3="8.49368"
                           zFract="0.38225383"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28683"
                           xFract="0.74488507"
                           y3="2.07163"
                           yFract="0.24545379"
                           z3="4.05203"
                           zFract="0.18235959"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00066"
                           xFract="0.82946209"
                           y3="2.29904"
                           yFract="0.2723981"
                           z3="9.28913"
                           zFract="0.41805266"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41382"
                           xFract="0.9968981"
                           y3="6.5336"
                           yFract="0.77412322"
                           z3="6.34228"
                           zFract="0.28543114"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94087"
                           xFract="0.2299609"
                           y3="4.24395"
                           yFract="0.50283768"
                           z3="6.50774"
                           zFract="0.29287759"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03047"
                           xFract="0.00361019"
                           y3="4.19479"
                           yFract="0.49701303"
                           z3="4.12878"
                           zFract="0.18581368"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.92526"
                           xFract="0.10962796"
                           y3="3.52526"
                           yFract="0.41768483"
                           z3="9.93247"
                           zFract="0.44700585"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2109"
                           xFract="0.26195498"
                           y3="6.31854"
                           yFract="0.74864218"
                           z3="4.28727"
                           zFract="0.19294644"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88431"
                           xFract="0.22325948"
                           y3="6.44286"
                           yFract="0.76337204"
                           z3="8.48434"
                           zFract="0.38183348"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25194"
                           xFract="0.50378436"
                           y3="6.32765"
                           yFract="0.74972156"
                           z3="6.21285"
                           zFract="0.27960621"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42334"
                           xFract="0.76105924"
                           y3="4.30407"
                           yFract="0.5099609"
                           z3="6.27763"
                           zFract="0.2825216"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18451"
                           xFract="0.49579502"
                           y3="4.35465"
                           yFract="0.51595379"
                           z3="4.29473"
                           zFract="0.19328218"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05664"
                           xFract="0.48064455"
                           y3="4.40703"
                           yFract="0.52215995"
                           z3="8.55222"
                           zFract="0.38488839"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19127"
                           xFract="0.7335628"
                           y3="6.36574"
                           yFract="0.7542346"
                           z3="4.20261"
                           zFract="0.18913636"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60493"
                           xFract="0.78257464"
                           y3="5.97133"
                           yFract="0.70750355"
                           z3="8.4179"
                           zFract="0.37884338"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.251">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20147"
                           xFract="0.02387085"
                           y3="3.87172"
                           yFract="0.4587346"
                           z3="10.48446"
                           zFract="0.47184788"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05677"
                           xFract="-0.0067263"
                           y3="6.53612"
                           yFract="0.7744218"
                           z3="8.42502"
                           zFract="0.37916382"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34151"
                           xFract="0.75136374"
                           y3="0.01239"
                           yFract="0.00146801"
                           z3="4.24227"
                           zFract="0.19092124"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35609"
                           xFract="0.04219076"
                           y3="1.91954"
                           yFract="0.22743365"
                           z3="9.06977"
                           zFract="0.40818047"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36942"
                           xFract="0.75467062"
                           y3="6.30827"
                           yFract="0.74742536"
                           z3="6.33766"
                           zFract="0.28522322"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20932"
                           xFract="0.4987346"
                           y3="6.33299"
                           yFract="0.75035427"
                           z3="4.22158"
                           zFract="0.1899901"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4130"
                           xFract="0.99680095"
                           y3="0.0841"
                           yFract="0.00996445"
                           z3="6.36358"
                           zFract="0.28638974"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42311"
                           xFract="0.99799882"
                           y3="2.11141"
                           yFract="0.25016706"
                           z3="4.20066"
                           zFract="0.1890486"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0747"
                           xFract="0.24581754"
                           y3="4.42986"
                           yFract="0.52486493"
                           z3="8.60669"
                           zFract="0.38733978"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09047"
                           xFract="0.24768602"
                           y3="4.20705"
                           yFract="0.49846564"
                           z3="4.28436"
                           zFract="0.19281548"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07358"
                           xFract="0.24568483"
                           y3="6.3569"
                           yFract="0.7531872"
                           z3="6.37807"
                           zFract="0.28704185"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10838"
                           xFract="0.24980806"
                           y3="0.01322"
                           yFract="0.00156635"
                           z3="4.2364"
                           zFract="0.19065707"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2916"
                           xFract="0.50848341"
                           y3="0.00002"
                           yFract="0.00000237"
                           z3="6.32914"
                           zFract="0.28483978"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37531"
                           xFract="0.75536848"
                           y3="2.13997"
                           yFract="0.25355095"
                           z3="6.3752"
                           zFract="0.28691269"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82147"
                           xFract="0.80823104"
                           y3="4.06611"
                           yFract="0.48176659"
                           z3="8.66498"
                           zFract="0.3899631"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.09995"
                           xFract="0.48577607"
                           y3="2.39864"
                           yFract="0.28419905"
                           z3="8.49714"
                           zFract="0.38240954"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43353"
                           xFract="0.99923341"
                           y3="6.31497"
                           yFract="0.74821919"
                           z3="4.25307"
                           zFract="0.19140729"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40086"
                           xFract="0.99536256"
                           y3="4.16541"
                           yFract="0.49353199"
                           z3="6.47995"
                           zFract="0.29162691"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21516"
                           xFract="0.49942654"
                           y3="2.12042"
                           yFract="0.2512346"
                           z3="4.2520"
                           zFract="0.19135914"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03162"
                           xFract="0.24071327"
                           y3="2.07109"
                           yFract="0.24538981"
                           z3="6.44806"
                           zFract="0.29019172"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36306"
                           xFract="0.75391706"
                           y3="4.20973"
                           yFract="0.49878318"
                           z3="4.24119"
                           zFract="0.19087264"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64774"
                           xFract="0.55068009"
                           y3="6.25963"
                           yFract="0.74166232"
                           z3="8.58981"
                           zFract="0.38658011"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27391"
                           xFract="0.50638744"
                           y3="4.21785"
                           yFract="0.49974526"
                           z3="6.47419"
                           zFract="0.29136769"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36651"
                           xFract="0.28039218"
                           y3="-0.12188"
                           yFract="-0.01444076"
                           z3="8.49093"
                           zFract="0.38213006"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27281"
                           xFract="0.74322393"
                           y3="0.60586"
                           yFract="0.07178436"
                           z3="8.51391"
                           zFract="0.38316427"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27981"
                           xFract="0.98102014"
                           y3="2.02547"
                           yFract="0.2399846"
                           z3="6.22378"
                           zFract="0.28009811"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20685"
                           xFract="0.26147512"
                           y3="8.42574"
                           yFract="0.99831043"
                           z3="6.30515"
                           zFract="0.28376013"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01203"
                           xFract="0.00142536"
                           y3="0.01493"
                           yFract="0.00176896"
                           z3="4.25612"
                           zFract="0.19154455"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29052"
                           xFract="0.9822891"
                           y3="0.18335"
                           yFract="0.02172393"
                           z3="8.36247"
                           zFract="0.37634878"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13178"
                           xFract="0.25258057"
                           y3="2.12241"
                           yFract="0.25147038"
                           z3="4.32238"
                           zFract="0.19452655"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14558"
                           xFract="0.25421564"
                           y3="1.80893"
                           yFract="0.2143282"
                           z3="8.50423"
                           zFract="0.38272862"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44306"
                           xFract="0.52642891"
                           y3="2.10868"
                           yFract="0.2498436"
                           z3="6.38173"
                           zFract="0.28720657"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34069"
                           xFract="0.75126659"
                           y3="8.32835"
                           yFract="0.98677133"
                           z3="6.28159"
                           zFract="0.28269982"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21978"
                           xFract="0.49997393"
                           y3="8.31789"
                           yFract="0.98553199"
                           z3="4.20101"
                           zFract="0.18906436"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47207"
                           xFract="0.52986611"
                           y3="-0.22092"
                           yFract="-0.02617536"
                           z3="8.49362"
                           zFract="0.38225113"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2869"
                           xFract="0.74489336"
                           y3="2.07159"
                           yFract="0.24544905"
                           z3="4.05206"
                           zFract="0.18236094"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00074"
                           xFract="0.82947156"
                           y3="2.29911"
                           yFract="0.2724064"
                           z3="9.28931"
                           zFract="0.41806076"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41383"
                           xFract="0.99689929"
                           y3="6.53356"
                           yFract="0.77411848"
                           z3="6.34227"
                           zFract="0.28543069"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94084"
                           xFract="0.22995735"
                           y3="4.24388"
                           yFract="0.50282938"
                           z3="6.50783"
                           zFract="0.29288164"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03049"
                           xFract="0.00361256"
                           y3="4.19477"
                           yFract="0.49701066"
                           z3="4.12875"
                           zFract="0.18581233"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.92565"
                           xFract="0.10967417"
                           y3="3.52502"
                           yFract="0.4176564"
                           z3="9.93272"
                           zFract="0.4470171"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21089"
                           xFract="0.26195379"
                           y3="6.31851"
                           yFract="0.74863863"
                           z3="4.28726"
                           zFract="0.19294599"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88425"
                           xFract="0.22325237"
                           y3="6.44282"
                           yFract="0.7633673"
                           z3="8.48438"
                           zFract="0.38183528"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25195"
                           xFract="0.50378555"
                           y3="6.32763"
                           yFract="0.74971919"
                           z3="6.21282"
                           zFract="0.27960486"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42338"
                           xFract="0.76106398"
                           y3="4.30411"
                           yFract="0.50996564"
                           z3="6.27757"
                           zFract="0.2825189"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18453"
                           xFract="0.49579739"
                           y3="4.35463"
                           yFract="0.51595142"
                           z3="4.29474"
                           zFract="0.19328263"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05665"
                           xFract="0.48064573"
                           y3="4.40707"
                           yFract="0.52216469"
                           z3="8.55222"
                           zFract="0.38488839"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19127"
                           xFract="0.7335628"
                           y3="6.36574"
                           yFract="0.7542346"
                           z3="4.2026"
                           zFract="0.18913591"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60492"
                           xFract="0.78257346"
                           y3="5.97139"
                           yFract="0.70751066"
                           z3="8.41792"
                           zFract="0.37884428"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.252">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20147"
                           xFract="0.02387085"
                           y3="3.87238"
                           yFract="0.4588128"
                           z3="10.48238"
                           zFract="0.47175428"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05679"
                           xFract="-0.00672867"
                           y3="6.53605"
                           yFract="0.77441351"
                           z3="8.42517"
                           zFract="0.37917057"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34165"
                           xFract="0.75138033"
                           y3="0.01228"
                           yFract="0.00145498"
                           z3="4.24228"
                           zFract="0.19092169"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35625"
                           xFract="0.04220972"
                           y3="1.91965"
                           yFract="0.22744668"
                           z3="9.07005"
                           zFract="0.40819307"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36944"
                           xFract="0.75467299"
                           y3="6.30849"
                           yFract="0.74745142"
                           z3="6.3378"
                           zFract="0.28522952"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20922"
                           xFract="0.49872275"
                           y3="6.3327"
                           yFract="0.75031991"
                           z3="4.22147"
                           zFract="0.18998515"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4130"
                           xFract="0.99680095"
                           y3="0.08409"
                           yFract="0.00996327"
                           z3="6.36343"
                           zFract="0.28638299"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42316"
                           xFract="0.99800474"
                           y3="2.11146"
                           yFract="0.25017299"
                           z3="4.20107"
                           zFract="0.18906706"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07511"
                           xFract="0.24586611"
                           y3="4.42949"
                           yFract="0.52482109"
                           z3="8.60687"
                           zFract="0.38734788"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09045"
                           xFract="0.24768365"
                           y3="4.20709"
                           yFract="0.49847038"
                           z3="4.28434"
                           zFract="0.19281458"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07361"
                           xFract="0.24568839"
                           y3="6.35648"
                           yFract="0.75313744"
                           z3="6.37828"
                           zFract="0.28705131"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10845"
                           xFract="0.24981635"
                           y3="0.01317"
                           yFract="0.00156043"
                           z3="4.2364"
                           zFract="0.19065707"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29189"
                           xFract="0.50851777"
                           y3="-0.00003"
                           yFract="-0.00000355"
                           z3="6.32918"
                           zFract="0.28484158"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37505"
                           xFract="0.75533768"
                           y3="2.13977"
                           yFract="0.25352725"
                           z3="6.37519"
                           zFract="0.28691224"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82117"
                           xFract="0.8081955"
                           y3="4.06669"
                           yFract="0.48183531"
                           z3="8.66596"
                           zFract="0.3900072"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10035"
                           xFract="0.48582346"
                           y3="2.39884"
                           yFract="0.28422275"
                           z3="8.49718"
                           zFract="0.38241134"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43342"
                           xFract="0.99922038"
                           y3="6.31482"
                           yFract="0.74820142"
                           z3="4.25294"
                           zFract="0.19140144"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40083"
                           xFract="0.995359"
                           y3="4.16526"
                           yFract="0.49351422"
                           z3="6.4801"
                           zFract="0.29163366"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21522"
                           xFract="0.49943365"
                           y3="2.12032"
                           yFract="0.25122275"
                           z3="4.2521"
                           zFract="0.19136364"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03167"
                           xFract="0.24071919"
                           y3="2.07074"
                           yFract="0.24534834"
                           z3="6.44805"
                           zFract="0.29019127"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36324"
                           xFract="0.75393839"
                           y3="4.20973"
                           yFract="0.49878318"
                           z3="4.24116"
                           zFract="0.19087129"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64754"
                           xFract="0.5506564"
                           y3="6.25992"
                           yFract="0.74169668"
                           z3="8.58993"
                           zFract="0.38658551"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27399"
                           xFract="0.50639692"
                           y3="4.21787"
                           yFract="0.49974763"
                           z3="6.47395"
                           zFract="0.29135689"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36662"
                           xFract="0.28040521"
                           y3="-0.12219"
                           yFract="-0.01447749"
                           z3="8.49115"
                           zFract="0.38213996"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27295"
                           xFract="0.74324052"
                           y3="0.60636"
                           yFract="0.0718436"
                           z3="8.51499"
                           zFract="0.38321287"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27936"
                           xFract="0.98096682"
                           y3="2.02555"
                           yFract="0.23999408"
                           z3="6.22404"
                           zFract="0.28010981"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20715"
                           xFract="0.26151066"
                           y3="8.42562"
                           yFract="0.99829621"
                           z3="6.30524"
                           zFract="0.28376418"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01232"
                           xFract="0.00145972"
                           y3="0.01492"
                           yFract="0.00176777"
                           z3="4.25613"
                           zFract="0.191545"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29065"
                           xFract="0.9823045"
                           y3="0.18339"
                           yFract="0.02172867"
                           z3="8.36277"
                           zFract="0.37636229"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13182"
                           xFract="0.25258531"
                           y3="2.12233"
                           yFract="0.2514609"
                           z3="4.32221"
                           zFract="0.1945189"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14641"
                           xFract="0.25431398"
                           y3="1.80871"
                           yFract="0.21430213"
                           z3="8.5043"
                           zFract="0.38273177"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44306"
                           xFract="0.52642891"
                           y3="2.10865"
                           yFract="0.24984005"
                           z3="6.38166"
                           zFract="0.28720342"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34088"
                           xFract="0.7512891"
                           y3="8.32846"
                           yFract="0.98678436"
                           z3="6.28156"
                           zFract="0.28269847"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21984"
                           xFract="0.49998104"
                           y3="8.31783"
                           yFract="0.98552488"
                           z3="4.20076"
                           zFract="0.18905311"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47238"
                           xFract="0.52990284"
                           y3="-0.22103"
                           yFract="-0.02618839"
                           z3="8.49335"
                           zFract="0.38223897"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2872"
                           xFract="0.74492891"
                           y3="2.07141"
                           yFract="0.24542773"
                           z3="4.05189"
                           zFract="0.18235329"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.0013"
                           xFract="0.82953791"
                           y3="2.29948"
                           yFract="0.27245024"
                           z3="9.28996"
                           zFract="0.41809001"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41377"
                           xFract="0.99689218"
                           y3="6.53317"
                           yFract="0.77407227"
                           z3="6.34237"
                           zFract="0.28543519"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94071"
                           xFract="0.22994194"
                           y3="4.24349"
                           yFract="0.50278318"
                           z3="6.50822"
                           zFract="0.29289919"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03065"
                           xFract="0.00363152"
                           y3="4.19468"
                           yFract="0.4970"
                           z3="4.12873"
                           zFract="0.18581143"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.92657"
                           xFract="0.10978318"
                           y3="3.52423"
                           yFract="0.4175628"
                           z3="9.93328"
                           zFract="0.4470423"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21084"
                           xFract="0.26194787"
                           y3="6.31843"
                           yFract="0.74862915"
                           z3="4.28734"
                           zFract="0.19294959"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88404"
                           xFract="0.22322749"
                           y3="6.44243"
                           yFract="0.76332109"
                           z3="8.48454"
                           zFract="0.38184248"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25189"
                           xFract="0.50377844"
                           y3="6.3276"
                           yFract="0.74971564"
                           z3="6.21279"
                           zFract="0.27960351"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42361"
                           xFract="0.76109123"
                           y3="4.30435"
                           yFract="0.50999408"
                           z3="6.27737"
                           zFract="0.2825099"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18456"
                           xFract="0.49580095"
                           y3="4.35462"
                           yFract="0.51595024"
                           z3="4.29464"
                           zFract="0.19327813"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05656"
                           xFract="0.48063507"
                           y3="4.40697"
                           yFract="0.52215284"
                           z3="8.55222"
                           zFract="0.38488839"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19124"
                           xFract="0.73355924"
                           y3="6.36576"
                           yFract="0.75423697"
                           z3="4.20251"
                           zFract="0.18913186"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60465"
                           xFract="0.78254147"
                           y3="5.97161"
                           yFract="0.70753673"
                           z3="8.41817"
                           zFract="0.37885554"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.253">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20147"
                           xFract="0.02387085"
                           y3="3.87436"
                           yFract="0.45904739"
                           z3="10.47614"
                           zFract="0.47147345"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05684"
                           xFract="-0.0067346"
                           y3="6.53584"
                           yFract="0.77438863"
                           z3="8.42562"
                           zFract="0.37919082"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34206"
                           xFract="0.75142891"
                           y3="0.01197"
                           yFract="0.00141825"
                           z3="4.2423"
                           zFract="0.19092259"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35676"
                           xFract="0.04227014"
                           y3="1.91997"
                           yFract="0.2274846"
                           z3="9.07088"
                           zFract="0.40823042"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3695"
                           xFract="0.75468009"
                           y3="6.30913"
                           yFract="0.74752725"
                           z3="6.33824"
                           zFract="0.28524932"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20892"
                           xFract="0.4986872"
                           y3="6.33186"
                           yFract="0.75022038"
                           z3="4.22114"
                           zFract="0.1899703"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41301"
                           xFract="0.99680213"
                           y3="0.08406"
                           yFract="0.00995972"
                           z3="6.36297"
                           zFract="0.28636229"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42331"
                           xFract="0.99802251"
                           y3="2.1116"
                           yFract="0.25018957"
                           z3="4.20232"
                           zFract="0.18912331"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07631"
                           xFract="0.24600829"
                           y3="4.42838"
                           yFract="0.52468957"
                           z3="8.60742"
                           zFract="0.38737264"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09038"
                           xFract="0.24767536"
                           y3="4.2072"
                           yFract="0.49848341"
                           z3="4.28427"
                           zFract="0.19281143"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07371"
                           xFract="0.24570024"
                           y3="6.35524"
                           yFract="0.75299052"
                           z3="6.37891"
                           zFract="0.28707966"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10868"
                           xFract="0.2498436"
                           y3="0.01302"
                           yFract="0.00154265"
                           z3="4.23637"
                           zFract="0.19065572"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29274"
                           xFract="0.50861848"
                           y3="-0.00019"
                           yFract="-0.00002251"
                           z3="6.32931"
                           zFract="0.28484743"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37425"
                           xFract="0.75524289"
                           y3="2.13917"
                           yFract="0.25345616"
                           z3="6.37514"
                           zFract="0.28690999"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.82027"
                           xFract="0.80808886"
                           y3="4.06845"
                           yFract="0.48204384"
                           z3="8.6689"
                           zFract="0.39013951"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10157"
                           xFract="0.48596801"
                           y3="2.39944"
                           yFract="0.28429384"
                           z3="8.49731"
                           zFract="0.38241719"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43311"
                           xFract="0.99918365"
                           y3="6.31436"
                           yFract="0.74814692"
                           z3="4.25256"
                           zFract="0.19138434"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40075"
                           xFract="0.99534953"
                           y3="4.16482"
                           yFract="0.49346209"
                           z3="6.48057"
                           zFract="0.29165482"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21542"
                           xFract="0.49945735"
                           y3="2.12001"
                           yFract="0.25118602"
                           z3="4.2524"
                           zFract="0.19137714"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.0318"
                           xFract="0.2407346"
                           y3="2.06969"
                           yFract="0.24522393"
                           z3="6.44802"
                           zFract="0.29018992"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36377"
                           xFract="0.75400118"
                           y3="4.20974"
                           yFract="0.49878436"
                           z3="4.24107"
                           zFract="0.19086724"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64693"
                           xFract="0.55058412"
                           y3="6.26078"
                           yFract="0.74179858"
                           z3="8.59029"
                           zFract="0.38660171"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27426"
                           xFract="0.50642891"
                           y3="4.21792"
                           yFract="0.49975355"
                           z3="6.47324"
                           zFract="0.29132493"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36695"
                           xFract="0.28044431"
                           y3="-0.12309"
                           yFract="-0.01458412"
                           z3="8.49182"
                           zFract="0.38217012"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27335"
                           xFract="0.74328791"
                           y3="0.60787"
                           yFract="0.07202251"
                           z3="8.5182"
                           zFract="0.38335734"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27802"
                           xFract="0.98080806"
                           y3="2.0258"
                           yFract="0.2400237"
                           z3="6.22485"
                           zFract="0.28014626"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20804"
                           xFract="0.26161611"
                           y3="8.42529"
                           yFract="0.99825711"
                           z3="6.30551"
                           zFract="0.28377633"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01319"
                           xFract="0.0015628"
                           y3="0.01489"
                           yFract="0.00176422"
                           z3="4.25618"
                           zFract="0.19154725"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29104"
                           xFract="0.98235071"
                           y3="0.1835"
                           yFract="0.02174171"
                           z3="8.36366"
                           zFract="0.37640234"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13193"
                           xFract="0.25259834"
                           y3="2.12209"
                           yFract="0.25143246"
                           z3="4.3217"
                           zFract="0.19449595"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1489"
                           xFract="0.254609"
                           y3="1.80807"
                           yFract="0.2142263"
                           z3="8.5045"
                           zFract="0.38274077"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44307"
                           xFract="0.52643009"
                           y3="2.10854"
                           yFract="0.24982701"
                           z3="6.38143"
                           zFract="0.28719307"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34143"
                           xFract="0.75135427"
                           y3="8.32881"
                           yFract="0.98682583"
                           z3="6.28147"
                           zFract="0.28269442"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22003"
                           xFract="0.50000355"
                           y3="8.31763"
                           yFract="0.98550118"
                           z3="4.20001"
                           zFract="0.18901935"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47331"
                           xFract="0.53001303"
                           y3="-0.22136"
                           yFract="-0.02622749"
                           z3="8.49255"
                           zFract="0.38220297"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28809"
                           xFract="0.74503436"
                           y3="2.07088"
                           yFract="0.24536493"
                           z3="4.05139"
                           zFract="0.18233078"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00296"
                           xFract="0.8297346"
                           y3="2.3006"
                           yFract="0.27258294"
                           z3="9.29191"
                           zFract="0.41817777"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4136"
                           xFract="0.99687204"
                           y3="6.5320"
                           yFract="0.77393365"
                           z3="6.34266"
                           zFract="0.28544824"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94032"
                           xFract="0.22989573"
                           y3="4.24232"
                           yFract="0.50264455"
                           z3="6.50939"
                           zFract="0.29295185"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03114"
                           xFract="0.00368957"
                           y3="4.19441"
                           yFract="0.49696801"
                           z3="4.12867"
                           zFract="0.18580873"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.92931"
                           xFract="0.11010782"
                           y3="3.52189"
                           yFract="0.41728555"
                           z3="9.93496"
                           zFract="0.44711791"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21071"
                           xFract="0.26193246"
                           y3="6.31818"
                           yFract="0.74859953"
                           z3="4.28758"
                           zFract="0.1929604"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88341"
                           xFract="0.22315284"
                           y3="6.44126"
                           yFract="0.76318246"
                           z3="8.48501"
                           zFract="0.38186364"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25171"
                           xFract="0.50375711"
                           y3="6.32749"
                           yFract="0.74970261"
                           z3="6.2127"
                           zFract="0.27959946"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42431"
                           xFract="0.76117417"
                           y3="4.30507"
                           yFract="0.51007938"
                           z3="6.27676"
                           zFract="0.28248245"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18465"
                           xFract="0.49581161"
                           y3="4.35456"
                           yFract="0.51594313"
                           z3="4.29436"
                           zFract="0.19326553"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05628"
                           xFract="0.4806019"
                           y3="4.40665"
                           yFract="0.52211493"
                           z3="8.55221"
                           zFract="0.38488794"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19116"
                           xFract="0.73354976"
                           y3="6.36582"
                           yFract="0.75424408"
                           z3="4.20227"
                           zFract="0.18912106"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60385"
                           xFract="0.78244668"
                           y3="5.97229"
                           yFract="0.7076173"
                           z3="8.41891"
                           zFract="0.37888884"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.254">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20148"
                           xFract="0.02387204"
                           y3="3.87833"
                           yFract="0.45951777"
                           z3="10.46366"
                           zFract="0.47091179"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05695"
                           xFract="-0.00674763"
                           y3="6.53542"
                           yFract="0.77433886"
                           z3="8.42651"
                           zFract="0.37923087"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34289"
                           xFract="0.75152725"
                           y3="0.01136"
                           yFract="0.00134597"
                           z3="4.24235"
                           zFract="0.19092484"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35776"
                           xFract="0.04238863"
                           y3="1.92061"
                           yFract="0.22756043"
                           z3="9.07255"
                           zFract="0.40830558"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36963"
                           xFract="0.7546955"
                           y3="6.31043"
                           yFract="0.74768128"
                           z3="6.33912"
                           zFract="0.28528893"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20832"
                           xFract="0.49861611"
                           y3="6.33017"
                           yFract="0.75002014"
                           z3="4.22049"
                           zFract="0.18994104"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41302"
                           xFract="0.99680332"
                           y3="0.0840"
                           yFract="0.00995261"
                           z3="6.36207"
                           zFract="0.28632178"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42361"
                           xFract="0.99805806"
                           y3="2.11189"
                           yFract="0.25022393"
                           z3="4.20481"
                           zFract="0.18923537"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07873"
                           xFract="0.24629502"
                           y3="4.42616"
                           yFract="0.52442654"
                           z3="8.60853"
                           zFract="0.38742259"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09024"
                           xFract="0.24765877"
                           y3="4.20741"
                           yFract="0.49850829"
                           z3="4.28413"
                           zFract="0.19280513"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07392"
                           xFract="0.24572512"
                           y3="6.35275"
                           yFract="0.7526955"
                           z3="6.38016"
                           zFract="0.28713591"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10912"
                           xFract="0.24989573"
                           y3="0.01272"
                           yFract="0.00150711"
                           z3="4.23633"
                           zFract="0.19065392"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29444"
                           xFract="0.50881991"
                           y3="-0.00051"
                           yFract="-0.00006043"
                           z3="6.32958"
                           zFract="0.28485959"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37266"
                           xFract="0.7550545"
                           y3="2.13798"
                           yFract="0.25331517"
                           z3="6.37504"
                           zFract="0.28690549"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81846"
                           xFract="0.80787441"
                           y3="4.07197"
                           yFract="0.4824609"
                           z3="8.67478"
                           zFract="0.39040414"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10401"
                           xFract="0.48625711"
                           y3="2.40064"
                           yFract="0.28443602"
                           z3="8.49757"
                           zFract="0.38242889"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43247"
                           xFract="0.99910782"
                           y3="6.31345"
                           yFract="0.7480391"
                           z3="4.25178"
                           zFract="0.19134923"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40059"
                           xFract="0.99533057"
                           y3="4.16393"
                           yFract="0.49335664"
                           z3="6.4815"
                           zFract="0.29169667"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21581"
                           xFract="0.49950355"
                           y3="2.11938"
                           yFract="0.25111137"
                           z3="4.25301"
                           zFract="0.19140459"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03207"
                           xFract="0.24076659"
                           y3="2.06759"
                           yFract="0.24497512"
                           z3="6.44796"
                           zFract="0.29018722"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36483"
                           xFract="0.75412678"
                           y3="4.20976"
                           yFract="0.49878673"
                           z3="4.24089"
                           zFract="0.19085914"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6457"
                           xFract="0.55043839"
                           y3="6.2625"
                           yFract="0.74200237"
                           z3="8.59102"
                           zFract="0.38663456"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27479"
                           xFract="0.50649171"
                           y3="4.21802"
                           yFract="0.4997654"
                           z3="6.4718"
                           zFract="0.29126013"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36762"
                           xFract="0.2805237"
                           y3="-0.1249"
                           yFract="-0.01479858"
                           z3="8.49314"
                           zFract="0.38222952"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27416"
                           xFract="0.74338389"
                           y3="0.61087"
                           yFract="0.07237796"
                           z3="8.52462"
                           zFract="0.38364626"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27532"
                           xFract="0.98048815"
                           y3="2.02628"
                           yFract="0.24008057"
                           z3="6.22646"
                           zFract="0.28021872"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20982"
                           xFract="0.26182701"
                           y3="8.42462"
                           yFract="0.99817773"
                           z3="6.30605"
                           zFract="0.28380063"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01492"
                           xFract="0.00176777"
                           y3="0.01484"
                           yFract="0.00175829"
                           z3="4.25628"
                           zFract="0.19155176"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29182"
                           xFract="0.98244313"
                           y3="0.18372"
                           yFract="0.02176777"
                           z3="8.36543"
                           zFract="0.376482"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13215"
                           xFract="0.25262441"
                           y3="2.12161"
                           yFract="0.25137559"
                           z3="4.32068"
                           zFract="0.19445005"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15389"
                           xFract="0.25520024"
                           y3="1.80678"
                           yFract="0.21407346"
                           z3="8.5049"
                           zFract="0.38275878"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4431"
                           xFract="0.52643365"
                           y3="2.10833"
                           yFract="0.24980213"
                           z3="6.38098"
                           zFract="0.28717282"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34253"
                           xFract="0.7514846"
                           y3="8.32951"
                           yFract="0.98690877"
                           z3="6.28129"
                           zFract="0.28268632"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2204"
                           xFract="0.50004739"
                           y3="8.31723"
                           yFract="0.98545379"
                           z3="4.1985"
                           zFract="0.1889514"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47518"
                           xFract="0.5302346"
                           y3="-0.22202"
                           yFract="-0.02630569"
                           z3="8.49093"
                           zFract="0.38213006"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28989"
                           xFract="0.74524763"
                           y3="2.06982"
                           yFract="0.24523934"
                           z3="4.05037"
                           zFract="0.18228488"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00629"
                           xFract="0.83012915"
                           y3="2.30284"
                           yFract="0.27284834"
                           z3="9.29581"
                           zFract="0.41835329"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41325"
                           xFract="0.99683057"
                           y3="6.52966"
                           yFract="0.7736564"
                           z3="6.34324"
                           zFract="0.28547435"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93953"
                           xFract="0.22980213"
                           y3="4.23998"
                           yFract="0.5023673"
                           z3="6.51173"
                           zFract="0.29305716"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03211"
                           xFract="0.0038045"
                           y3="4.19388"
                           yFract="0.49690521"
                           z3="4.12856"
                           zFract="0.18580378"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.93481"
                           xFract="0.11075948"
                           y3="3.5172"
                           yFract="0.41672986"
                           z3="9.93832"
                           zFract="0.44726913"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21044"
                           xFract="0.26190047"
                           y3="6.31769"
                           yFract="0.74854147"
                           z3="4.28804"
                           zFract="0.1929811"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88215"
                           xFract="0.22300355"
                           y3="6.43891"
                           yFract="0.76290403"
                           z3="8.48596"
                           zFract="0.38190639"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25136"
                           xFract="0.50371564"
                           y3="6.32727"
                           yFract="0.74967654"
                           z3="6.21251"
                           zFract="0.27959091"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42571"
                           xFract="0.76134005"
                           y3="4.30651"
                           yFract="0.51025"
                           z3="6.27556"
                           zFract="0.28242844"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18484"
                           xFract="0.49583412"
                           y3="4.35445"
                           yFract="0.51593009"
                           z3="4.29379"
                           zFract="0.19323987"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05574"
                           xFract="0.48053791"
                           y3="4.40602"
                           yFract="0.52204028"
                           z3="8.5522"
                           zFract="0.38488749"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19099"
                           xFract="0.73352962"
                           y3="6.36595"
                           yFract="0.75425948"
                           z3="4.20178"
                           zFract="0.18909901"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60224"
                           xFract="0.78225592"
                           y3="5.97364"
                           yFract="0.70777725"
                           z3="8.4204"
                           zFract="0.3789559"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.255">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.20061"
                           xFract="0.02376896"
                           y3="3.88006"
                           yFract="0.45972275"
                           z3="10.46092"
                           zFract="0.47078848"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05718"
                           xFract="-0.00677488"
                           y3="6.53531"
                           yFract="0.77432583"
                           z3="8.42674"
                           zFract="0.37924122"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34317"
                           xFract="0.75156043"
                           y3="0.01121"
                           yFract="0.0013282"
                           z3="4.24233"
                           zFract="0.19092394"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.35888"
                           xFract="0.04252133"
                           y3="1.92048"
                           yFract="0.22754502"
                           z3="9.07259"
                           zFract="0.40830738"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36972"
                           xFract="0.75470616"
                           y3="6.31075"
                           yFract="0.74771919"
                           z3="6.3393"
                           zFract="0.28529703"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20827"
                           xFract="0.49861019"
                           y3="6.33011"
                           yFract="0.75001303"
                           z3="4.22024"
                           zFract="0.18992979"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41298"
                           xFract="0.99679858"
                           y3="0.08393"
                           yFract="0.00994431"
                           z3="6.36252"
                           zFract="0.28634203"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42369"
                           xFract="0.99806754"
                           y3="2.1120"
                           yFract="0.25023697"
                           z3="4.20523"
                           zFract="0.18925428"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.07944"
                           xFract="0.24637915"
                           y3="4.42533"
                           yFract="0.5243282"
                           z3="8.60866"
                           zFract="0.38742844"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09017"
                           xFract="0.24765047"
                           y3="4.20732"
                           yFract="0.49849763"
                           z3="4.28414"
                           zFract="0.19280558"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07391"
                           xFract="0.24572393"
                           y3="6.35212"
                           yFract="0.75262085"
                           z3="6.38055"
                           zFract="0.28715347"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10938"
                           xFract="0.24992654"
                           y3="0.0125"
                           yFract="0.00148104"
                           z3="4.23634"
                           zFract="0.19065437"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29475"
                           xFract="0.50885664"
                           y3="-0.00059"
                           yFract="-0.00006991"
                           z3="6.32969"
                           zFract="0.28486454"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37227"
                           xFract="0.75500829"
                           y3="2.13757"
                           yFract="0.25326659"
                           z3="6.37533"
                           zFract="0.28691854"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81779"
                           xFract="0.80779502"
                           y3="4.07299"
                           yFract="0.48258175"
                           z3="8.67668"
                           zFract="0.39048965"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10513"
                           xFract="0.48638981"
                           y3="2.40071"
                           yFract="0.28444431"
                           z3="8.49771"
                           zFract="0.38243519"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43238"
                           xFract="0.99909716"
                           y3="6.31318"
                           yFract="0.74800711"
                           z3="4.2516"
                           zFract="0.19134113"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40038"
                           xFract="0.99530569"
                           y3="4.1637"
                           yFract="0.49332938"
                           z3="6.48186"
                           zFract="0.29171287"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21599"
                           xFract="0.49952488"
                           y3="2.11914"
                           yFract="0.25108294"
                           z3="4.25299"
                           zFract="0.19140369"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03227"
                           xFract="0.24079028"
                           y3="2.06706"
                           yFract="0.24491232"
                           z3="6.44808"
                           zFract="0.29019262"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36519"
                           xFract="0.75416943"
                           y3="4.2097"
                           yFract="0.49877962"
                           z3="4.24094"
                           zFract="0.19086139"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64503"
                           xFract="0.550359"
                           y3="6.26263"
                           yFract="0.74201777"
                           z3="8.59111"
                           zFract="0.38663861"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27507"
                           xFract="0.50652488"
                           y3="4.21807"
                           yFract="0.49977133"
                           z3="6.47147"
                           zFract="0.29124527"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36757"
                           xFract="0.28051777"
                           y3="-0.12536"
                           yFract="-0.01485308"
                           z3="8.49332"
                           zFract="0.38223762"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27448"
                           xFract="0.7434218"
                           y3="0.61157"
                           yFract="0.0724609"
                           z3="8.52622"
                           zFract="0.38371827"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27471"
                           xFract="0.98041588"
                           y3="2.02647"
                           yFract="0.24010308"
                           z3="6.22687"
                           zFract="0.28023717"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21009"
                           xFract="0.261859"
                           y3="8.42422"
                           yFract="0.99813033"
                           z3="6.30629"
                           zFract="0.28381143"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01535"
                           xFract="0.00181872"
                           y3="0.0148"
                           yFract="0.00175355"
                           z3="4.25629"
                           zFract="0.19155221"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29197"
                           xFract="0.9824609"
                           y3="0.18381"
                           yFract="0.02177844"
                           z3="8.36597"
                           zFract="0.3765063"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1322"
                           xFract="0.25263033"
                           y3="2.12149"
                           yFract="0.25136137"
                           z3="4.32048"
                           zFract="0.19444104"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15456"
                           xFract="0.25527962"
                           y3="1.80634"
                           yFract="0.21402133"
                           z3="8.50526"
                           zFract="0.38277498"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44305"
                           xFract="0.52642773"
                           y3="2.10836"
                           yFract="0.24980569"
                           z3="6.38076"
                           zFract="0.28716292"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34282"
                           xFract="0.75151896"
                           y3="8.32967"
                           yFract="0.98692773"
                           z3="6.28111"
                           zFract="0.28267822"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22048"
                           xFract="0.50005687"
                           y3="8.31698"
                           yFract="0.98542417"
                           z3="4.19833"
                           zFract="0.18894374"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47566"
                           xFract="0.53029147"
                           y3="-0.22185"
                           yFract="-0.02628555"
                           z3="8.49069"
                           zFract="0.38211926"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29016"
                           xFract="0.74527962"
                           y3="2.06967"
                           yFract="0.24522156"
                           z3="4.05002"
                           zFract="0.18226913"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00689"
                           xFract="0.83020024"
                           y3="2.30369"
                           yFract="0.27294905"
                           z3="9.29671"
                           zFract="0.41839379"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41314"
                           xFract="0.99681754"
                           y3="6.52904"
                           yFract="0.77358294"
                           z3="6.34344"
                           zFract="0.28548335"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93944"
                           xFract="0.22979147"
                           y3="4.23931"
                           yFract="0.50228791"
                           z3="6.51206"
                           zFract="0.29307201"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03235"
                           xFract="0.00383294"
                           y3="4.19377"
                           yFract="0.49689218"
                           z3="4.12855"
                           zFract="0.18580333"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.93675"
                           xFract="0.11098934"
                           y3="3.5161"
                           yFract="0.41659953"
                           z3="9.93793"
                           zFract="0.44725158"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21039"
                           xFract="0.26189455"
                           y3="6.31745"
                           yFract="0.74851303"
                           z3="4.28824"
                           zFract="0.1929901"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88214"
                           xFract="0.22300237"
                           y3="6.43839"
                           yFract="0.76284242"
                           z3="8.48616"
                           zFract="0.38191539"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25125"
                           xFract="0.50370261"
                           y3="6.32714"
                           yFract="0.74966114"
                           z3="6.21251"
                           zFract="0.27959091"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42588"
                           xFract="0.76136019"
                           y3="4.3068"
                           yFract="0.51028436"
                           z3="6.27537"
                           zFract="0.28241989"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18477"
                           xFract="0.49582583"
                           y3="4.35428"
                           yFract="0.51590995"
                           z3="4.29363"
                           zFract="0.19323267"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05611"
                           xFract="0.48058175"
                           y3="4.40612"
                           yFract="0.52205213"
                           z3="8.55211"
                           zFract="0.38488344"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19091"
                           xFract="0.73352014"
                           y3="6.36593"
                           yFract="0.75425711"
                           z3="4.20168"
                           zFract="0.18909451"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60189"
                           xFract="0.78221445"
                           y3="5.9740"
                           yFract="0.70781991"
                           z3="8.42098"
                           zFract="0.378982"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.256">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19823"
                           xFract="0.02348697"
                           y3="3.88483"
                           yFract="0.46028791"
                           z3="10.45338"
                           zFract="0.47044914"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05781"
                           xFract="-0.00684953"
                           y3="6.53501"
                           yFract="0.77429028"
                           z3="8.42737"
                           zFract="0.37926958"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34395"
                           xFract="0.75165284"
                           y3="0.01081"
                           yFract="0.00128081"
                           z3="4.24227"
                           zFract="0.19092124"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36196"
                           xFract="0.04288626"
                           y3="1.92012"
                           yFract="0.22750237"
                           z3="9.07273"
                           zFract="0.40831368"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36997"
                           xFract="0.75473578"
                           y3="6.31162"
                           yFract="0.74782227"
                           z3="6.33978"
                           zFract="0.28531863"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20814"
                           xFract="0.49859479"
                           y3="6.32995"
                           yFract="0.74999408"
                           z3="4.21954"
                           zFract="0.18989829"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41286"
                           xFract="0.99678436"
                           y3="0.08372"
                           yFract="0.00991943"
                           z3="6.36378"
                           zFract="0.28639874"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42389"
                           xFract="0.99809123"
                           y3="2.11231"
                           yFract="0.2502737"
                           z3="4.20636"
                           zFract="0.18930513"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0814"
                           xFract="0.24661137"
                           y3="4.42306"
                           yFract="0.52405924"
                           z3="8.60903"
                           zFract="0.38744509"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.0900"
                           xFract="0.24763033"
                           y3="4.20708"
                           yFract="0.49846919"
                           z3="4.28418"
                           zFract="0.19280738"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07389"
                           xFract="0.24572156"
                           y3="6.35038"
                           yFract="0.75241469"
                           z3="6.38161"
                           zFract="0.28720117"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11009"
                           xFract="0.25001066"
                           y3="0.01189"
                           yFract="0.00140877"
                           z3="4.23636"
                           zFract="0.19065527"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29561"
                           xFract="0.50895853"
                           y3="-0.0008"
                           yFract="-0.00009479"
                           z3="6.32999"
                           zFract="0.28487804"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37118"
                           xFract="0.75487915"
                           y3="2.13644"
                           yFract="0.2531327"
                           z3="6.37615"
                           zFract="0.28695545"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81596"
                           xFract="0.8075782"
                           y3="4.07578"
                           yFract="0.48291232"
                           z3="8.68189"
                           zFract="0.39072412"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10822"
                           xFract="0.48675592"
                           y3="2.40092"
                           yFract="0.28446919"
                           z3="8.49812"
                           zFract="0.38245365"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43213"
                           xFract="0.99906754"
                           y3="6.31243"
                           yFract="0.74791825"
                           z3="4.25109"
                           zFract="0.19131818"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39981"
                           xFract="0.99523815"
                           y3="4.16309"
                           yFract="0.49325711"
                           z3="6.48288"
                           zFract="0.29175878"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21648"
                           xFract="0.49958294"
                           y3="2.11849"
                           yFract="0.25100592"
                           z3="4.25293"
                           zFract="0.19140099"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03281"
                           xFract="0.24085427"
                           y3="2.0656"
                           yFract="0.24473934"
                           z3="6.44842"
                           zFract="0.29020792"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36618"
                           xFract="0.75428673"
                           y3="4.20953"
                           yFract="0.49875948"
                           z3="4.24108"
                           zFract="0.19086769"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6432"
                           xFract="0.55014218"
                           y3="6.26299"
                           yFract="0.74206043"
                           z3="8.59134"
                           zFract="0.38664896"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27583"
                           xFract="0.50661493"
                           y3="4.21822"
                           yFract="0.4997891"
                           z3="6.47054"
                           zFract="0.29120342"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36743"
                           xFract="0.28050118"
                           y3="-0.12664"
                           yFract="-0.01500474"
                           z3="8.4938"
                           zFract="0.38225923"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27535"
                           xFract="0.74352488"
                           y3="0.61351"
                           yFract="0.07269076"
                           z3="8.53061"
                           zFract="0.38391584"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27304"
                           xFract="0.98021801"
                           y3="2.0270"
                           yFract="0.24016588"
                           z3="6.22802"
                           zFract="0.28028893"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21082"
                           xFract="0.2619455"
                           y3="8.4231"
                           yFract="0.99799763"
                           z3="6.30696"
                           zFract="0.28384158"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01655"
                           xFract="0.0019609"
                           y3="0.01469"
                           yFract="0.00174052"
                           z3="4.25632"
                           zFract="0.19155356"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29239"
                           xFract="0.98251066"
                           y3="0.18407"
                           yFract="0.02180924"
                           z3="8.36746"
                           zFract="0.37657336"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13233"
                           xFract="0.25264573"
                           y3="2.12115"
                           yFract="0.25132109"
                           z3="4.31992"
                           zFract="0.19441584"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15642"
                           xFract="0.2555"
                           y3="1.80514"
                           yFract="0.21387915"
                           z3="8.50625"
                           zFract="0.38281953"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44292"
                           xFract="0.52641232"
                           y3="2.10846"
                           yFract="0.24981754"
                           z3="6.38016"
                           zFract="0.28713591"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34361"
                           xFract="0.75161256"
                           y3="8.33009"
                           yFract="0.98697749"
                           z3="6.28063"
                           zFract="0.28265662"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22071"
                           xFract="0.50008412"
                           y3="8.31627"
                           yFract="0.98534005"
                           z3="4.19784"
                           zFract="0.18892169"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47698"
                           xFract="0.53044787"
                           y3="-0.22136"
                           yFract="-0.02622749"
                           z3="8.49004"
                           zFract="0.38209001"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29091"
                           xFract="0.74536848"
                           y3="2.06927"
                           yFract="0.24517417"
                           z3="4.04907"
                           zFract="0.18222637"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00856"
                           xFract="0.8303981"
                           y3="2.30604"
                           yFract="0.27322749"
                           z3="9.29918"
                           zFract="0.41850495"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41282"
                           xFract="0.99677962"
                           y3="6.52734"
                           yFract="0.77338152"
                           z3="6.34399"
                           zFract="0.2855081"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93922"
                           xFract="0.2297654"
                           y3="4.23748"
                           yFract="0.50207109"
                           z3="6.51294"
                           zFract="0.29311161"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03301"
                           xFract="0.00391114"
                           y3="4.19345"
                           yFract="0.49685427"
                           z3="4.12852"
                           zFract="0.18580198"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94207"
                           xFract="0.11161967"
                           y3="3.51309"
                           yFract="0.41624289"
                           z3="9.93686"
                           zFract="0.44720342"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21025"
                           xFract="0.26187796"
                           y3="6.3168"
                           yFract="0.74843602"
                           z3="4.28878"
                           zFract="0.1930144"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88213"
                           xFract="0.22300118"
                           y3="6.43696"
                           yFract="0.76267299"
                           z3="8.48671"
                           zFract="0.38194014"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25096"
                           xFract="0.50366825"
                           y3="6.32677"
                           yFract="0.7496173"
                           z3="6.21253"
                           zFract="0.27959181"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42633"
                           xFract="0.76141351"
                           y3="4.3076"
                           yFract="0.51037915"
                           z3="6.27484"
                           zFract="0.28239604"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18459"
                           xFract="0.4958045"
                           y3="4.35382"
                           yFract="0.51585545"
                           z3="4.29318"
                           zFract="0.19321242"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05712"
                           xFract="0.48070142"
                           y3="4.40638"
                           yFract="0.52208294"
                           z3="8.55186"
                           zFract="0.38487219"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1907"
                           xFract="0.73349526"
                           y3="6.36588"
                           yFract="0.75425118"
                           z3="4.2014"
                           zFract="0.18908191"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60092"
                           xFract="0.78209953"
                           y3="5.97497"
                           yFract="0.70793483"
                           z3="8.42257"
                           zFract="0.37905356"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.257">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19911"
                           xFract="0.02359123"
                           y3="3.88308"
                           yFract="0.46008057"
                           z3="10.45616"
                           zFract="0.47057426"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05758"
                           xFract="-0.00682227"
                           y3="6.53512"
                           yFract="0.77430332"
                           z3="8.42714"
                           zFract="0.37925923"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34366"
                           xFract="0.75161848"
                           y3="0.01096"
                           yFract="0.00129858"
                           z3="4.2423"
                           zFract="0.19092259"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36082"
                           xFract="0.04275118"
                           y3="1.92025"
                           yFract="0.22751777"
                           z3="9.07268"
                           zFract="0.40831143"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36988"
                           xFract="0.75472512"
                           y3="6.3113"
                           yFract="0.74778436"
                           z3="6.3396"
                           zFract="0.28531053"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20819"
                           xFract="0.49860071"
                           y3="6.33001"
                           yFract="0.75000118"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41291"
                           xFract="0.99679028"
                           y3="0.0838"
                           yFract="0.00992891"
                           z3="6.36332"
                           zFract="0.28637804"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42381"
                           xFract="0.99808175"
                           y3="2.11219"
                           yFract="0.25025948"
                           z3="4.20595"
                           zFract="0.18928668"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08068"
                           xFract="0.24652607"
                           y3="4.4239"
                           yFract="0.52415877"
                           z3="8.6089"
                           zFract="0.38743924"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09006"
                           xFract="0.24763744"
                           y3="4.20717"
                           yFract="0.49847986"
                           z3="4.28416"
                           zFract="0.19280648"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.0739"
                           xFract="0.24572275"
                           y3="6.35102"
                           yFract="0.75249052"
                           z3="6.38122"
                           zFract="0.28718362"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10982"
                           xFract="0.24997867"
                           y3="0.01212"
                           yFract="0.00143602"
                           z3="4.23635"
                           zFract="0.19065482"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2953"
                           xFract="0.5089218"
                           y3="-0.00073"
                           yFract="-0.00008649"
                           z3="6.32988"
                           zFract="0.28487309"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37158"
                           xFract="0.75492654"
                           y3="2.13685"
                           yFract="0.25318128"
                           z3="6.37585"
                           zFract="0.28694194"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81663"
                           xFract="0.80765758"
                           y3="4.07475"
                           yFract="0.48279028"
                           z3="8.67997"
                           zFract="0.39063771"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10708"
                           xFract="0.48662085"
                           y3="2.40084"
                           yFract="0.28445972"
                           z3="8.49797"
                           zFract="0.38244689"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43222"
                           xFract="0.9990782"
                           y3="6.3127"
                           yFract="0.74795024"
                           z3="4.25128"
                           zFract="0.19132673"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.40002"
                           xFract="0.99526303"
                           y3="4.16332"
                           yFract="0.49328436"
                           z3="6.4825"
                           zFract="0.29174167"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2163"
                           xFract="0.49956161"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="4.25295"
                           zFract="0.19140189"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03261"
                           xFract="0.24083057"
                           y3="2.06613"
                           yFract="0.24480213"
                           z3="6.44829"
                           zFract="0.29020207"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36581"
                           xFract="0.75424289"
                           y3="4.20959"
                           yFract="0.49876659"
                           z3="4.24102"
                           zFract="0.19086499"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64387"
                           xFract="0.55022156"
                           y3="6.26286"
                           yFract="0.74204502"
                           z3="8.59125"
                           zFract="0.38664491"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27555"
                           xFract="0.50658175"
                           y3="4.21817"
                           yFract="0.49978318"
                           z3="6.47088"
                           zFract="0.29121872"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36748"
                           xFract="0.28050711"
                           y3="-0.12617"
                           yFract="-0.01494905"
                           z3="8.49362"
                           zFract="0.38225113"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27503"
                           xFract="0.74348697"
                           y3="0.6128"
                           yFract="0.07260664"
                           z3="8.52899"
                           zFract="0.38384293"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27366"
                           xFract="0.98029147"
                           y3="2.0268"
                           yFract="0.24014218"
                           z3="6.2276"
                           zFract="0.28027003"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21055"
                           xFract="0.26191351"
                           y3="8.42351"
                           yFract="0.99804621"
                           z3="6.30671"
                           zFract="0.28383033"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01611"
                           xFract="0.00190877"
                           y3="0.01473"
                           yFract="0.00174526"
                           z3="4.25631"
                           zFract="0.19155311"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29224"
                           xFract="0.98249289"
                           y3="0.18397"
                           yFract="0.02179739"
                           z3="8.36691"
                           zFract="0.3765486"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13228"
                           xFract="0.25263981"
                           y3="2.12127"
                           yFract="0.25133531"
                           z3="4.32013"
                           zFract="0.19442529"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15573"
                           xFract="0.25541825"
                           y3="1.80558"
                           yFract="0.21393128"
                           z3="8.50589"
                           zFract="0.38280333"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44297"
                           xFract="0.52641825"
                           y3="2.10842"
                           yFract="0.2498128"
                           z3="6.38038"
                           zFract="0.28714581"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34332"
                           xFract="0.7515782"
                           y3="8.32993"
                           yFract="0.98695853"
                           z3="6.28081"
                           zFract="0.28266472"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22063"
                           xFract="0.50007464"
                           y3="8.31653"
                           yFract="0.98537085"
                           z3="4.19802"
                           zFract="0.18892979"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47649"
                           xFract="0.53038981"
                           y3="-0.22154"
                           yFract="-0.02624882"
                           z3="8.49028"
                           zFract="0.38210081"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29064"
                           xFract="0.74533649"
                           y3="2.06942"
                           yFract="0.24519194"
                           z3="4.04942"
                           zFract="0.18224212"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00795"
                           xFract="0.83032583"
                           y3="2.30518"
                           yFract="0.27312559"
                           z3="9.29827"
                           zFract="0.418464"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41293"
                           xFract="0.99679265"
                           y3="6.52796"
                           yFract="0.77345498"
                           z3="6.34379"
                           zFract="0.2854991"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9393"
                           xFract="0.22977488"
                           y3="4.23816"
                           yFract="0.50215166"
                           z3="6.51262"
                           zFract="0.29309721"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03277"
                           xFract="0.0038827"
                           y3="4.19357"
                           yFract="0.49686848"
                           z3="4.12853"
                           zFract="0.18580243"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94011"
                           xFract="0.11138744"
                           y3="3.5142"
                           yFract="0.41637441"
                           z3="9.93725"
                           zFract="0.44722097"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2103"
                           xFract="0.26188389"
                           y3="6.31704"
                           yFract="0.74846445"
                           z3="4.28858"
                           zFract="0.1930054"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88214"
                           xFract="0.22300237"
                           y3="6.43749"
                           yFract="0.76273578"
                           z3="8.48651"
                           zFract="0.38193114"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25107"
                           xFract="0.50368128"
                           y3="6.32691"
                           yFract="0.74963389"
                           z3="6.21252"
                           zFract="0.27959136"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42616"
                           xFract="0.76139336"
                           y3="4.3073"
                           yFract="0.5103436"
                           z3="6.27504"
                           zFract="0.28240504"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18466"
                           xFract="0.4958128"
                           y3="4.35399"
                           yFract="0.51587559"
                           z3="4.29335"
                           zFract="0.19322007"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05675"
                           xFract="0.48065758"
                           y3="4.40628"
                           yFract="0.52207109"
                           z3="8.55195"
                           zFract="0.38487624"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19078"
                           xFract="0.73350474"
                           y3="6.3659"
                           yFract="0.75425355"
                           z3="4.20151"
                           zFract="0.18908686"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60128"
                           xFract="0.78214218"
                           y3="5.97461"
                           yFract="0.70789218"
                           z3="8.42198"
                           zFract="0.379027"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.258">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19908"
                           xFract="0.02358768"
                           y3="3.88423"
                           yFract="0.46021682"
                           z3="10.45348"
                           zFract="0.47045365"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05783"
                           xFract="-0.0068519"
                           y3="6.53503"
                           yFract="0.77429265"
                           z3="8.42732"
                           zFract="0.37926733"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34394"
                           xFract="0.75165166"
                           y3="0.01085"
                           yFract="0.00128555"
                           z3="4.24226"
                           zFract="0.19092079"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36189"
                           xFract="0.04287796"
                           y3="1.92002"
                           yFract="0.22749052"
                           z3="9.07257"
                           zFract="0.40830648"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36996"
                           xFract="0.7547346"
                           y3="6.31151"
                           yFract="0.74780924"
                           z3="6.33971"
                           zFract="0.28531548"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20821"
                           xFract="0.49860308"
                           y3="6.33009"
                           yFract="0.75001066"
                           z3="4.21961"
                           zFract="0.18990144"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41286"
                           xFract="0.99678436"
                           y3="0.0837"
                           yFract="0.00991706"
                           z3="6.36395"
                           zFract="0.28640639"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42387"
                           xFract="0.99808886"
                           y3="2.11226"
                           yFract="0.25026777"
                           z3="4.20614"
                           zFract="0.18929523"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0813"
                           xFract="0.24659953"
                           y3="4.42321"
                           yFract="0.52407701"
                           z3="8.60884"
                           zFract="0.38743654"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09002"
                           xFract="0.2476327"
                           y3="4.20702"
                           yFract="0.49846209"
                           z3="4.2842"
                           zFract="0.19280828"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07386"
                           xFract="0.24571801"
                           y3="6.35057"
                           yFract="0.7524372"
                           z3="6.38152"
                           zFract="0.28719712"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11006"
                           xFract="0.25000711"
                           y3="0.01188"
                           yFract="0.00140758"
                           z3="4.23639"
                           zFract="0.19065662"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29548"
                           xFract="0.50894313"
                           y3="-0.0008"
                           yFract="-0.00009479"
                           z3="6.32998"
                           zFract="0.28487759"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37131"
                           xFract="0.75489455"
                           y3="2.13652"
                           yFract="0.25314218"
                           z3="6.37623"
                           zFract="0.28695905"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81606"
                           xFract="0.80759005"
                           y3="4.07555"
                           yFract="0.48288507"
                           z3="8.68158"
                           zFract="0.39071017"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.10816"
                           xFract="0.48674882"
                           y3="2.40078"
                           yFract="0.28445261"
                           z3="8.49811"
                           zFract="0.3824532"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43219"
                           xFract="0.99907464"
                           y3="6.31251"
                           yFract="0.74792773"
                           z3="4.25118"
                           zFract="0.19132223"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3998"
                           xFract="0.99523697"
                           y3="4.16314"
                           yFract="0.49326303"
                           z3="6.48285"
                           zFract="0.29175743"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21647"
                           xFract="0.49958175"
                           y3="2.11853"
                           yFract="0.25101066"
                           z3="4.25285"
                           zFract="0.19139739"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03281"
                           xFract="0.24085427"
                           y3="2.06573"
                           yFract="0.24475474"
                           z3="6.44845"
                           zFract="0.29020927"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36611"
                           xFract="0.75427844"
                           y3="4.20951"
                           yFract="0.49875711"
                           z3="4.2411"
                           zFract="0.19086859"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64324"
                           xFract="0.55014692"
                           y3="6.26285"
                           yFract="0.74204384"
                           z3="8.59126"
                           zFract="0.38664536"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27584"
                           xFract="0.50661611"
                           y3="4.21822"
                           yFract="0.4997891"
                           z3="6.47065"
                           zFract="0.29120837"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36737"
                           xFract="0.28049408"
                           y3="-0.12654"
                           yFract="-0.01499289"
                           z3="8.49368"
                           zFract="0.38225383"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27533"
                           xFract="0.74352251"
                           y3="0.61333"
                           yFract="0.07266943"
                           z3="8.53019"
                           zFract="0.38389694"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27327"
                           xFract="0.98024526"
                           y3="2.02699"
                           yFract="0.24016469"
                           z3="6.22792"
                           zFract="0.28028443"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21066"
                           xFract="0.26192654"
                           y3="8.42311"
                           yFract="0.99799882"
                           z3="6.30694"
                           zFract="0.28384068"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0164"
                           xFract="0.00194313"
                           y3="0.01468"
                           yFract="0.00173934"
                           z3="4.25631"
                           zFract="0.19155311"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29232"
                           xFract="0.98250237"
                           y3="0.18404"
                           yFract="0.02180569"
                           z3="8.36735"
                           zFract="0.37656841"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13233"
                           xFract="0.25264573"
                           y3="2.12117"
                           yFract="0.25132346"
                           z3="4.32002"
                           zFract="0.19442034"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15606"
                           xFract="0.25545735"
                           y3="1.80516"
                           yFract="0.21388152"
                           z3="8.50623"
                           zFract="0.38281863"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44287"
                           xFract="0.5264064"
                           y3="2.10847"
                           yFract="0.24981872"
                           z3="6.38016"
                           zFract="0.28713591"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34353"
                           xFract="0.75160308"
                           y3="8.33003"
                           yFract="0.98697038"
                           z3="6.28061"
                           zFract="0.28265572"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22069"
                           xFract="0.50008175"
                           y3="8.3163"
                           yFract="0.9853436"
                           z3="4.19801"
                           zFract="0.18892934"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47685"
                           xFract="0.53043246"
                           y3="-0.22124"
                           yFract="-0.02621327"
                           z3="8.4902"
                           zFract="0.38209721"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29074"
                           xFract="0.74534834"
                           y3="2.06936"
                           yFract="0.24518483"
                           z3="4.04916"
                           zFract="0.18223042"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00844"
                           xFract="0.83038389"
                           y3="2.30593"
                           yFract="0.27321445"
                           z3="9.2989"
                           zFract="0.41849235"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41284"
                           xFract="0.99678199"
                           y3="6.52748"
                           yFract="0.7733981"
                           z3="6.34398"
                           zFract="0.28550765"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93929"
                           xFract="0.2297737"
                           y3="4.23761"
                           yFract="0.50208649"
                           z3="6.51274"
                           zFract="0.29310261"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03293"
                           xFract="0.00390166"
                           y3="4.1935"
                           yFract="0.49686019"
                           z3="4.12852"
                           zFract="0.18580198"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94068"
                           xFract="0.11145498"
                           y3="3.51398"
                           yFract="0.41634834"
                           z3="9.93729"
                           zFract="0.44722277"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21028"
                           xFract="0.26188152"
                           y3="6.31681"
                           yFract="0.7484372"
                           z3="4.28875"
                           zFract="0.19301305"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88228"
                           xFract="0.22301896"
                           y3="6.43713"
                           yFract="0.76269313"
                           z3="8.48665"
                           zFract="0.38193744"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25101"
                           xFract="0.50367417"
                           y3="6.32678"
                           yFract="0.74961848"
                           z3="6.21254"
                           zFract="0.27959226"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42619"
                           xFract="0.76139692"
                           y3="4.30749"
                           yFract="0.51036611"
                           z3="6.27495"
                           zFract="0.28240099"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18457"
                           xFract="0.49580213"
                           y3="4.3538"
                           yFract="0.51585308"
                           z3="4.29321"
                           zFract="0.19321377"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.05729"
                           xFract="0.48072156"
                           y3="4.40642"
                           yFract="0.52208768"
                           z3="8.55184"
                           zFract="0.38487129"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19071"
                           xFract="0.73349645"
                           y3="6.36586"
                           yFract="0.75424882"
                           z3="4.20144"
                           zFract="0.18908371"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60103"
                           xFract="0.78211256"
                           y3="5.9749"
                           yFract="0.70792654"
                           z3="8.42251"
                           zFract="0.37905086"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.259">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19899"
                           xFract="0.02357701"
                           y3="3.88769"
                           yFract="0.46062678"
                           z3="10.44544"
                           zFract="0.47009181"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05858"
                           xFract="-0.00694076"
                           y3="6.53477"
                           yFract="0.77426185"
                           z3="8.42786"
                           zFract="0.37929163"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34476"
                           xFract="0.75174882"
                           y3="0.01053"
                           yFract="0.00124763"
                           z3="4.24215"
                           zFract="0.19091584"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.3651"
                           xFract="0.04325829"
                           y3="1.91932"
                           yFract="0.22740758"
                           z3="9.07226"
                           zFract="0.40829253"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3702"
                           xFract="0.75476303"
                           y3="6.31214"
                           yFract="0.74788389"
                           z3="6.34003"
                           zFract="0.28532988"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20826"
                           xFract="0.498609"
                           y3="6.33035"
                           yFract="0.75004147"
                           z3="4.21904"
                           zFract="0.18987579"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41274"
                           xFract="0.99677014"
                           y3="0.0834"
                           yFract="0.00988152"
                           z3="6.36584"
                           zFract="0.28649145"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42405"
                           xFract="0.99811019"
                           y3="2.11245"
                           yFract="0.25029028"
                           z3="4.20671"
                           zFract="0.18932088"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08317"
                           xFract="0.24682109"
                           y3="4.42114"
                           yFract="0.52383175"
                           z3="8.60868"
                           zFract="0.38742934"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08989"
                           xFract="0.2476173"
                           y3="4.20659"
                           yFract="0.49841114"
                           z3="4.28431"
                           zFract="0.19281323"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07376"
                           xFract="0.24570616"
                           y3="6.34921"
                           yFract="0.75227607"
                           z3="6.38241"
                           zFract="0.28723717"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11075"
                           xFract="0.25008886"
                           y3="0.01118"
                           yFract="0.00132464"
                           z3="4.23651"
                           zFract="0.19066202"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29602"
                           xFract="0.50900711"
                           y3="-0.00102"
                           yFract="-0.00012085"
                           z3="6.33031"
                           zFract="0.28489244"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3705"
                           xFract="0.75479858"
                           y3="2.13551"
                           yFract="0.25302251"
                           z3="6.37736"
                           zFract="0.2870099"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81432"
                           xFract="0.80738389"
                           y3="4.07796"
                           yFract="0.48317062"
                           z3="8.68644"
                           zFract="0.39092889"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11141"
                           xFract="0.48713389"
                           y3="2.4006"
                           yFract="0.28443128"
                           z3="8.49852"
                           zFract="0.38247165"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43212"
                           xFract="0.99906635"
                           y3="6.31193"
                           yFract="0.747859"
                           z3="4.25088"
                           zFract="0.19130873"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39912"
                           xFract="0.9951564"
                           y3="4.16262"
                           yFract="0.49320142"
                           z3="6.48391"
                           zFract="0.29180513"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21699"
                           xFract="0.49964336"
                           y3="2.11792"
                           yFract="0.25093839"
                           z3="4.25254"
                           zFract="0.19138344"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03343"
                           xFract="0.24092773"
                           y3="2.06452"
                           yFract="0.24461137"
                           z3="6.44892"
                           zFract="0.29023042"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36699"
                           xFract="0.7543827"
                           y3="4.20928"
                           yFract="0.49872986"
                           z3="4.24134"
                           zFract="0.19087939"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.64135"
                           xFract="0.54992299"
                           y3="6.26284"
                           yFract="0.74204265"
                           z3="8.59129"
                           zFract="0.38664671"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27671"
                           xFract="0.50671919"
                           y3="4.21836"
                           yFract="0.49980569"
                           z3="6.46994"
                           zFract="0.29117642"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36701"
                           xFract="0.28045142"
                           y3="-0.12766"
                           yFract="-0.01512559"
                           z3="8.49385"
                           zFract="0.38226148"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27622"
                           xFract="0.74362796"
                           y3="0.61494"
                           yFract="0.07286019"
                           z3="8.53381"
                           zFract="0.38405986"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27211"
                           xFract="0.98010782"
                           y3="2.02757"
                           yFract="0.24023341"
                           z3="6.22889"
                           zFract="0.28032808"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21099"
                           xFract="0.26196564"
                           y3="8.42191"
                           yFract="0.99785664"
                           z3="6.30764"
                           zFract="0.28387219"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0173"
                           xFract="0.00204976"
                           y3="0.01453"
                           yFract="0.00172156"
                           z3="4.2563"
                           zFract="0.19155266"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29255"
                           xFract="0.98252962"
                           y3="0.18424"
                           yFract="0.02182938"
                           z3="8.36868"
                           zFract="0.37662826"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13246"
                           xFract="0.25266114"
                           y3="2.12085"
                           yFract="0.25128555"
                           z3="4.31968"
                           zFract="0.19440504"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15703"
                           xFract="0.25557227"
                           y3="1.8039"
                           yFract="0.21373223"
                           z3="8.50724"
                           zFract="0.38286409"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44259"
                           xFract="0.52637322"
                           y3="2.10862"
                           yFract="0.24983649"
                           z3="6.37951"
                           zFract="0.28710666"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34415"
                           xFract="0.75167654"
                           y3="8.33033"
                           yFract="0.98700592"
                           z3="6.28002"
                           zFract="0.28262916"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22087"
                           xFract="0.50010308"
                           y3="8.31559"
                           yFract="0.98525948"
                           z3="4.19797"
                           zFract="0.18892754"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47791"
                           xFract="0.53055806"
                           y3="-0.22033"
                           yFract="-0.02610545"
                           z3="8.48995"
                           zFract="0.38208596"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29105"
                           xFract="0.74538507"
                           y3="2.06921"
                           yFract="0.24516706"
                           z3="4.0484"
                           zFract="0.18219622"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.00994"
                           xFract="0.83056161"
                           y3="2.30818"
                           yFract="0.27348104"
                           z3="9.30079"
                           zFract="0.41857741"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41255"
                           xFract="0.99674763"
                           y3="6.52602"
                           yFract="0.77322512"
                           z3="6.34456"
                           zFract="0.28553375"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93926"
                           xFract="0.22977014"
                           y3="4.23599"
                           yFract="0.50189455"
                           z3="6.51309"
                           zFract="0.29311836"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03343"
                           xFract="0.0039609"
                           y3="4.1933"
                           yFract="0.49683649"
                           z3="4.12851"
                           zFract="0.18580153"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94241"
                           xFract="0.11165995"
                           y3="3.51332"
                           yFract="0.41627014"
                           z3="9.93742"
                           zFract="0.44722862"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21021"
                           xFract="0.26187322"
                           y3="6.31614"
                           yFract="0.74835782"
                           z3="4.28925"
                           zFract="0.19303555"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88271"
                           xFract="0.22306991"
                           y3="6.43603"
                           yFract="0.7625628"
                           z3="8.48707"
                           zFract="0.38195635"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25084"
                           xFract="0.50365403"
                           y3="6.32642"
                           yFract="0.74957583"
                           z3="6.2126"
                           zFract="0.27959496"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4263"
                           xFract="0.76140995"
                           y3="4.30803"
                           yFract="0.51043009"
                           z3="6.27471"
                           zFract="0.28239019"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1843"
                           xFract="0.49577014"
                           y3="4.35322"
                           yFract="0.51578436"
                           z3="4.29279"
                           zFract="0.19319487"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.0589"
                           xFract="0.48091232"
                           y3="4.40684"
                           yFract="0.52213744"
                           z3="8.55149"
                           zFract="0.38485554"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.1905"
                           xFract="0.73347156"
                           y3="6.36575"
                           yFract="0.75423578"
                           z3="4.20125"
                           zFract="0.18907516"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.60029"
                           xFract="0.78202488"
                           y3="5.97575"
                           yFract="0.70802725"
                           z3="8.42411"
                           zFract="0.37912286"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.260">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1988"
                           xFract="0.0235545"
                           y3="3.89462"
                           yFract="0.46144787"
                           z3="10.42935"
                           zFract="0.46936769"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.06008"
                           xFract="-0.00711848"
                           y3="6.53423"
                           yFract="0.77419787"
                           z3="8.42894"
                           zFract="0.37934023"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34641"
                           xFract="0.75194431"
                           y3="0.00988"
                           yFract="0.00117062"
                           z3="4.24194"
                           zFract="0.19090639"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.3715"
                           xFract="0.04401659"
                           y3="1.91793"
                           yFract="0.22724289"
                           z3="9.07163"
                           zFract="0.40826418"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.37069"
                           xFract="0.75482109"
                           y3="6.31339"
                           yFract="0.74803199"
                           z3="6.34068"
                           zFract="0.28535914"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20835"
                           xFract="0.49861967"
                           y3="6.33085"
                           yFract="0.75010071"
                           z3="4.21791"
                           zFract="0.18982493"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41249"
                           xFract="0.99674052"
                           y3="0.0828"
                           yFract="0.00981043"
                           z3="6.36961"
                           zFract="0.28666112"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42441"
                           xFract="0.99815284"
                           y3="2.11282"
                           yFract="0.25033412"
                           z3="4.20787"
                           zFract="0.18937309"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08691"
                           xFract="0.24726422"
                           y3="4.4170"
                           yFract="0.52334123"
                           z3="8.60836"
                           zFract="0.38741494"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08962"
                           xFract="0.24758531"
                           y3="4.20573"
                           yFract="0.49830924"
                           z3="4.28452"
                           zFract="0.19282268"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07355"
                           xFract="0.24568128"
                           y3="6.3465"
                           yFract="0.75195498"
                           z3="6.38419"
                           zFract="0.28731728"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11215"
                           xFract="0.25025474"
                           y3="0.00978"
                           yFract="0.00115877"
                           z3="4.23675"
                           zFract="0.19067282"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.2971"
                           xFract="0.50913507"
                           y3="-0.00145"
                           yFract="-0.0001718"
                           z3="6.33095"
                           zFract="0.28492124"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36888"
                           xFract="0.75460664"
                           y3="2.13351"
                           yFract="0.25278555"
                           z3="6.37962"
                           zFract="0.28711161"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81084"
                           xFract="0.80697156"
                           y3="4.08276"
                           yFract="0.48373934"
                           z3="8.69615"
                           zFract="0.39136589"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11791"
                           xFract="0.48790403"
                           y3="2.40023"
                           yFract="0.28438744"
                           z3="8.49934"
                           zFract="0.38250855"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43196"
                           xFract="0.99904739"
                           y3="6.31076"
                           yFract="0.74772038"
                           z3="4.25029"
                           zFract="0.19128218"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39776"
                           xFract="0.99499526"
                           y3="4.16158"
                           yFract="0.4930782"
                           z3="6.48602"
                           zFract="0.29190009"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21804"
                           xFract="0.49976777"
                           y3="2.11669"
                           yFract="0.25079265"
                           z3="4.25192"
                           zFract="0.19135554"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03467"
                           xFract="0.24107464"
                           y3="2.0621"
                           yFract="0.24432464"
                           z3="6.44986"
                           zFract="0.29027273"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36875"
                           xFract="0.75459123"
                           y3="4.20882"
                           yFract="0.49867536"
                           z3="4.24182"
                           zFract="0.19090099"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63756"
                           xFract="0.54947393"
                           y3="6.26282"
                           yFract="0.74204028"
                           z3="8.59134"
                           zFract="0.38664896"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27844"
                           xFract="0.50692417"
                           y3="4.21865"
                           yFract="0.49984005"
                           z3="6.46852"
                           zFract="0.29111251"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.3663"
                           xFract="0.2803673"
                           y3="-0.1299"
                           yFract="-0.015391"
                           z3="8.49418"
                           zFract="0.38227633"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27801"
                           xFract="0.74384005"
                           y3="0.61814"
                           yFract="0.07323934"
                           z3="8.54103"
                           zFract="0.38438479"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.2698"
                           xFract="0.97983412"
                           y3="2.02872"
                           yFract="0.24036967"
                           z3="6.23084"
                           zFract="0.28041584"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21165"
                           xFract="0.26204384"
                           y3="8.4195"
                           yFract="0.99757109"
                           z3="6.30903"
                           zFract="0.28393474"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01909"
                           xFract="0.00226185"
                           y3="0.01423"
                           yFract="0.00168602"
                           z3="4.25629"
                           zFract="0.19155221"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29303"
                           xFract="0.98258649"
                           y3="0.18464"
                           yFract="0.02187678"
                           z3="8.37134"
                           zFract="0.37674797"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13273"
                           xFract="0.25269313"
                           y3="2.12022"
                           yFract="0.2512109"
                           z3="4.31901"
                           zFract="0.19437489"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15898"
                           xFract="0.25580332"
                           y3="1.80137"
                           yFract="0.21343246"
                           z3="8.50926"
                           zFract="0.382955"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44201"
                           xFract="0.5263045"
                           y3="2.10892"
                           yFract="0.24987204"
                           z3="6.37821"
                           zFract="0.28704815"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34541"
                           xFract="0.75182583"
                           y3="8.33092"
                           yFract="0.98707583"
                           z3="6.27884"
                           zFract="0.28257606"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22123"
                           xFract="0.50014573"
                           y3="8.31418"
                           yFract="0.98509242"
                           z3="4.1979"
                           zFract="0.18892439"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48005"
                           xFract="0.53081161"
                           y3="-0.2185"
                           yFract="-0.02588863"
                           z3="8.48945"
                           zFract="0.38206346"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29168"
                           xFract="0.74545972"
                           y3="2.0689"
                           yFract="0.24513033"
                           z3="4.04686"
                           zFract="0.18212691"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.01292"
                           xFract="0.83091469"
                           y3="2.31268"
                           yFract="0.27401422"
                           z3="9.30457"
                           zFract="0.41874752"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41196"
                           xFract="0.99667773"
                           y3="6.52311"
                           yFract="0.77288033"
                           z3="6.34572"
                           zFract="0.28558596"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.9392"
                           xFract="0.22976303"
                           y3="4.23273"
                           yFract="0.50150829"
                           z3="6.5138"
                           zFract="0.29315032"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03442"
                           xFract="0.0040782"
                           y3="4.19289"
                           yFract="0.49678791"
                           z3="4.12847"
                           zFract="0.18579973"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94585"
                           xFract="0.11206754"
                           y3="3.5120"
                           yFract="0.41611374"
                           z3="9.93767"
                           zFract="0.44723987"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21009"
                           xFract="0.261859"
                           y3="6.3148"
                           yFract="0.74819905"
                           z3="4.29026"
                           zFract="0.19308101"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88358"
                           xFract="0.22317299"
                           y3="6.43384"
                           yFract="0.76230332"
                           z3="8.48792"
                           zFract="0.3819946"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25049"
                           xFract="0.50361256"
                           y3="6.32569"
                           yFract="0.74948934"
                           z3="6.21271"
                           zFract="0.27959991"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4265"
                           xFract="0.76143365"
                           y3="4.30912"
                           yFract="0.51055924"
                           z3="6.27423"
                           zFract="0.28236859"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18376"
                           xFract="0.49570616"
                           y3="4.35206"
                           yFract="0.51564692"
                           z3="4.29196"
                           zFract="0.19315752"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06212"
                           xFract="0.48129384"
                           y3="4.40768"
                           yFract="0.52223697"
                           z3="8.5508"
                           zFract="0.38482448"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19009"
                           xFract="0.73342299"
                           y3="6.36552"
                           yFract="0.75420853"
                           z3="4.20086"
                           zFract="0.18905761"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59882"
                           xFract="0.78185071"
                           y3="5.97747"
                           yFract="0.70823104"
                           z3="8.4273"
                           zFract="0.37926643"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.261">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19889"
                           xFract="0.02356517"
                           y3="3.89127"
                           yFract="0.46105095"
                           z3="10.43713"
                           zFract="0.46971782"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05935"
                           xFract="-0.00703199"
                           y3="6.53449"
                           yFract="0.77422867"
                           z3="8.42842"
                           zFract="0.37931683"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34561"
                           xFract="0.75184953"
                           y3="0.01019"
                           yFract="0.00120735"
                           z3="4.24204"
                           zFract="0.19091089"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.3684"
                           xFract="0.04364929"
                           y3="1.9186"
                           yFract="0.22732227"
                           z3="9.07193"
                           zFract="0.40827768"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.37046"
                           xFract="0.75479384"
                           y3="6.31278"
                           yFract="0.74795972"
                           z3="6.34037"
                           zFract="0.28534518"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20831"
                           xFract="0.49861493"
                           y3="6.33061"
                           yFract="0.75007227"
                           z3="4.21846"
                           zFract="0.18984968"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41261"
                           xFract="0.99675474"
                           y3="0.08309"
                           yFract="0.00984479"
                           z3="6.36779"
                           zFract="0.28657921"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42424"
                           xFract="0.9981327"
                           y3="2.11264"
                           yFract="0.2503128"
                           z3="4.20731"
                           zFract="0.18934788"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0851"
                           xFract="0.24704976"
                           y3="4.4190"
                           yFract="0.5235782"
                           z3="8.60852"
                           zFract="0.38742214"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08975"
                           xFract="0.24760071"
                           y3="4.20615"
                           yFract="0.498359"
                           z3="4.28442"
                           zFract="0.19281818"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07365"
                           xFract="0.24569313"
                           y3="6.34781"
                           yFract="0.75211019"
                           z3="6.38333"
                           zFract="0.28727858"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11147"
                           xFract="0.25017417"
                           y3="0.01045"
                           yFract="0.00123815"
                           z3="4.23663"
                           zFract="0.19066742"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29657"
                           xFract="0.50907227"
                           y3="-0.00124"
                           yFract="-0.00014692"
                           z3="6.33064"
                           zFract="0.28490729"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36967"
                           xFract="0.75470024"
                           y3="2.13448"
                           yFract="0.25290047"
                           z3="6.37853"
                           zFract="0.28706256"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81252"
                           xFract="0.80717062"
                           y3="4.08044"
                           yFract="0.48346445"
                           z3="8.69145"
                           zFract="0.39115437"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11477"
                           xFract="0.48753199"
                           y3="2.40041"
                           yFract="0.28440877"
                           z3="8.49894"
                           zFract="0.38249055"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43204"
                           xFract="0.99905687"
                           y3="6.31132"
                           yFract="0.74778673"
                           z3="4.25057"
                           zFract="0.19129478"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39842"
                           xFract="0.99507346"
                           y3="4.16208"
                           yFract="0.49313744"
                           z3="6.4850"
                           zFract="0.29185419"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21753"
                           xFract="0.49970735"
                           y3="2.11729"
                           yFract="0.25086374"
                           z3="4.25222"
                           zFract="0.19136904"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03407"
                           xFract="0.24100355"
                           y3="2.06327"
                           yFract="0.24446327"
                           z3="6.44941"
                           zFract="0.29025248"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3679"
                           xFract="0.75449052"
                           y3="4.20904"
                           yFract="0.49870142"
                           z3="4.24159"
                           zFract="0.19089064"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63939"
                           xFract="0.54969076"
                           y3="6.26283"
                           yFract="0.74204147"
                           z3="8.59132"
                           zFract="0.38664806"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2776"
                           xFract="0.50682464"
                           y3="4.21851"
                           yFract="0.49982346"
                           z3="6.46921"
                           zFract="0.29114356"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36664"
                           xFract="0.28040758"
                           y3="-0.12882"
                           yFract="-0.01526303"
                           z3="8.49402"
                           zFract="0.38226913"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27714"
                           xFract="0.74373697"
                           y3="0.61659"
                           yFract="0.07305569"
                           z3="8.53754"
                           zFract="0.38422772"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27092"
                           xFract="0.97996682"
                           y3="2.02816"
                           yFract="0.24030332"
                           z3="6.2299"
                           zFract="0.28037354"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21133"
                           xFract="0.26200592"
                           y3="8.42067"
                           yFract="0.99770972"
                           z3="6.30836"
                           zFract="0.28390459"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01822"
                           xFract="0.00215877"
                           y3="0.01437"
                           yFract="0.00170261"
                           z3="4.2563"
                           zFract="0.19155266"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2928"
                           xFract="0.98255924"
                           y3="0.18445"
                           yFract="0.02185427"
                           z3="8.37006"
                           zFract="0.37669037"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1326"
                           xFract="0.25267773"
                           y3="2.12052"
                           yFract="0.25124645"
                           z3="4.31933"
                           zFract="0.19438929"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15804"
                           xFract="0.25569194"
                           y3="1.80259"
                           yFract="0.21357701"
                           z3="8.50828"
                           zFract="0.38291089"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44229"
                           xFract="0.52633768"
                           y3="2.10878"
                           yFract="0.24985545"
                           z3="6.37884"
                           zFract="0.28707651"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3448"
                           xFract="0.75175355"
                           y3="8.33063"
                           yFract="0.98704147"
                           z3="6.27941"
                           zFract="0.28260171"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22106"
                           xFract="0.50012559"
                           y3="8.31486"
                           yFract="0.98517299"
                           z3="4.19793"
                           zFract="0.18892574"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47902"
                           xFract="0.53068957"
                           y3="-0.21938"
                           yFract="-0.02599289"
                           z3="8.48969"
                           zFract="0.38207426"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29138"
                           xFract="0.74542417"
                           y3="2.06905"
                           yFract="0.2451481"
                           z3="4.0476"
                           zFract="0.18216022"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.01148"
                           xFract="0.83074408"
                           y3="2.3105"
                           yFract="0.27375592"
                           z3="9.30274"
                           zFract="0.41866517"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41224"
                           xFract="0.9967109"
                           y3="6.52451"
                           yFract="0.77304621"
                           z3="6.34516"
                           zFract="0.28556076"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93923"
                           xFract="0.22976659"
                           y3="4.23431"
                           yFract="0.5016955"
                           z3="6.51346"
                           zFract="0.29313501"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03394"
                           xFract="0.00402133"
                           y3="4.19309"
                           yFract="0.49681161"
                           z3="4.12849"
                           zFract="0.18580063"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94419"
                           xFract="0.11187085"
                           y3="3.51264"
                           yFract="0.41618957"
                           z3="9.93755"
                           zFract="0.44723447"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21015"
                           xFract="0.26186611"
                           y3="6.31545"
                           yFract="0.74827607"
                           z3="4.28977"
                           zFract="0.19305896"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88316"
                           xFract="0.22312322"
                           y3="6.4349"
                           yFract="0.76242891"
                           z3="8.48751"
                           zFract="0.38197615"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25066"
                           xFract="0.5036327"
                           y3="6.32604"
                           yFract="0.74953081"
                           z3="6.21266"
                           zFract="0.27959766"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4264"
                           xFract="0.7614218"
                           y3="4.30859"
                           yFract="0.51049645"
                           z3="6.27446"
                           zFract="0.28237894"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18402"
                           xFract="0.49573697"
                           y3="4.35262"
                           yFract="0.51571327"
                           z3="4.29236"
                           zFract="0.19317552"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06056"
                           xFract="0.481109"
                           y3="4.40728"
                           yFract="0.52218957"
                           z3="8.55113"
                           zFract="0.38483933"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19029"
                           xFract="0.73344668"
                           y3="6.36563"
                           yFract="0.75422156"
                           z3="4.20104"
                           zFract="0.18906571"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59953"
                           xFract="0.78193483"
                           y3="5.97664"
                           yFract="0.7081327"
                           z3="8.42575"
                           zFract="0.37919667"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.262">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1987"
                           xFract="0.02354265"
                           y3="3.89214"
                           yFract="0.46115403"
                           z3="10.43545"
                           zFract="0.46964221"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05918"
                           xFract="-0.00701185"
                           y3="6.53444"
                           yFract="0.77422275"
                           z3="8.42863"
                           zFract="0.37932628"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34591"
                           xFract="0.75188507"
                           y3="0.01018"
                           yFract="0.00120616"
                           z3="4.2420"
                           zFract="0.19090909"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36801"
                           xFract="0.04360308"
                           y3="1.91871"
                           yFract="0.22733531"
                           z3="9.07217"
                           zFract="0.40828848"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3704"
                           xFract="0.75478673"
                           y3="6.31261"
                           yFract="0.74793957"
                           z3="6.34036"
                           zFract="0.28534473"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20835"
                           xFract="0.49861967"
                           y3="6.3305"
                           yFract="0.75005924"
                           z3="4.21862"
                           zFract="0.18985689"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4126"
                           xFract="0.99675355"
                           y3="0.08306"
                           yFract="0.00984123"
                           z3="6.36829"
                           zFract="0.28660171"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4243"
                           xFract="0.99813981"
                           y3="2.11245"
                           yFract="0.25029028"
                           z3="4.20719"
                           zFract="0.18934248"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08552"
                           xFract="0.24709953"
                           y3="4.41865"
                           yFract="0.52353673"
                           z3="8.60808"
                           zFract="0.38740234"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.08985"
                           xFract="0.24761256"
                           y3="4.20588"
                           yFract="0.49832701"
                           z3="4.28451"
                           zFract="0.19282223"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07356"
                           xFract="0.24568246"
                           y3="6.34772"
                           yFract="0.75209953"
                           z3="6.38335"
                           zFract="0.28727948"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11147"
                           xFract="0.25017417"
                           y3="0.01024"
                           yFract="0.00121327"
                           z3="4.23684"
                           zFract="0.19067687"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29653"
                           xFract="0.50906754"
                           y3="-0.00134"
                           yFract="-0.00015877"
                           z3="6.3308"
                           zFract="0.28491449"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36967"
                           xFract="0.75470024"
                           y3="2.13439"
                           yFract="0.25288981"
                           z3="6.37903"
                           zFract="0.28708506"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81213"
                           xFract="0.80712441"
                           y3="4.08088"
                           yFract="0.48351659"
                           z3="8.69261"
                           zFract="0.39120657"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11575"
                           xFract="0.4876481"
                           y3="2.40004"
                           yFract="0.28436493"
                           z3="8.4990"
                           zFract="0.38249325"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43217"
                           xFract="0.99907227"
                           y3="6.31141"
                           yFract="0.74779739"
                           z3="4.25076"
                           zFract="0.19130333"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39823"
                           xFract="0.99505095"
                           y3="4.16194"
                           yFract="0.49312085"
                           z3="6.48541"
                           zFract="0.29187264"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21763"
                           xFract="0.49971919"
                           y3="2.11723"
                           yFract="0.25085664"
                           z3="4.2520"
                           zFract="0.19135914"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03429"
                           xFract="0.24102962"
                           y3="2.0631"
                           yFract="0.24444313"
                           z3="6.44961"
                           zFract="0.29026148"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36796"
                           xFract="0.75449763"
                           y3="4.20894"
                           yFract="0.49868957"
                           z3="4.24173"
                           zFract="0.19089694"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6391"
                           xFract="0.5496564"
                           y3="6.26309"
                           yFract="0.74207227"
                           z3="8.59117"
                           zFract="0.38664131"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27797"
                           xFract="0.50686848"
                           y3="4.2185"
                           yFract="0.49982227"
                           z3="6.46911"
                           zFract="0.29113906"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36655"
                           xFract="0.28039692"
                           y3="-0.12911"
                           yFract="-0.01529739"
                           z3="8.49389"
                           zFract="0.38226328"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2774"
                           xFract="0.74376777"
                           y3="0.61697"
                           yFract="0.07310071"
                           z3="8.53813"
                           zFract="0.38425428"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27107"
                           xFract="0.9799846"
                           y3="2.02835"
                           yFract="0.24032583"
                           z3="6.23007"
                           zFract="0.28038119"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21118"
                           xFract="0.26198815"
                           y3="8.42032"
                           yFract="0.99766825"
                           z3="6.30859"
                           zFract="0.28391494"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01822"
                           xFract="0.00215877"
                           y3="0.01425"
                           yFract="0.00168839"
                           z3="4.25628"
                           zFract="0.19155176"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29278"
                           xFract="0.98255687"
                           y3="0.18435"
                           yFract="0.02184242"
                           z3="8.3704"
                           zFract="0.37670567"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13267"
                           xFract="0.25268602"
                           y3="2.12033"
                           yFract="0.25122393"
                           z3="4.31941"
                           zFract="0.19439289"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15854"
                           xFract="0.25575118"
                           y3="1.8022"
                           yFract="0.21353081"
                           z3="8.50835"
                           zFract="0.38291404"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44198"
                           xFract="0.52630095"
                           y3="2.10875"
                           yFract="0.2498519"
                           z3="6.37861"
                           zFract="0.28706616"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34486"
                           xFract="0.75176066"
                           y3="8.3306"
                           yFract="0.98703791"
                           z3="6.27918"
                           zFract="0.28259136"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22109"
                           xFract="0.50012915"
                           y3="8.31483"
                           yFract="0.98516943"
                           z3="4.19818"
                           zFract="0.18893699"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47919"
                           xFract="0.53070972"
                           y3="-0.21886"
                           yFract="-0.02593128"
                           z3="8.48993"
                           zFract="0.38208506"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29119"
                           xFract="0.74540166"
                           y3="2.06913"
                           yFract="0.24515758"
                           z3="4.04766"
                           zFract="0.18216292"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.0124"
                           xFract="0.83085308"
                           y3="2.31072"
                           yFract="0.27378199"
                           z3="9.30285"
                           zFract="0.41867012"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41223"
                           xFract="0.99670972"
                           y3="6.52422"
                           yFract="0.77301185"
                           z3="6.34543"
                           zFract="0.28557291"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93928"
                           xFract="0.22977251"
                           y3="4.23394"
                           yFract="0.50165166"
                           z3="6.51325"
                           zFract="0.29312556"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03394"
                           xFract="0.00402133"
                           y3="4.19313"
                           yFract="0.49681635"
                           z3="4.12844"
                           zFract="0.18579838"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94438"
                           xFract="0.11189336"
                           y3="3.51317"
                           yFract="0.41625237"
                           z3="9.93713"
                           zFract="0.44721557"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21018"
                           xFract="0.26186967"
                           y3="6.31531"
                           yFract="0.74825948"
                           z3="4.28982"
                           zFract="0.19306121"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88342"
                           xFract="0.22315403"
                           y3="6.43459"
                           yFract="0.76239218"
                           z3="8.48756"
                           zFract="0.3819784"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25079"
                           xFract="0.5036481"
                           y3="6.32602"
                           yFract="0.74952844"
                           z3="6.21267"
                           zFract="0.27959811"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42614"
                           xFract="0.761391"
                           y3="4.30855"
                           yFract="0.51049171"
                           z3="6.27456"
                           zFract="0.28238344"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18399"
                           xFract="0.49573341"
                           y3="4.35256"
                           yFract="0.51570616"
                           z3="4.29226"
                           zFract="0.19317102"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06123"
                           xFract="0.48118839"
                           y3="4.40701"
                           yFract="0.52215758"
                           z3="8.55099"
                           zFract="0.38483303"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19028"
                           xFract="0.7334455"
                           y3="6.36557"
                           yFract="0.75421445"
                           z3="4.20103"
                           zFract="0.18906526"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59931"
                           xFract="0.78190877"
                           y3="5.97688"
                           yFract="0.70816114"
                           z3="8.42617"
                           zFract="0.37921557"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.263">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19812"
                           xFract="0.02347393"
                           y3="3.89474"
                           yFract="0.46146209"
                           z3="10.43041"
                           zFract="0.46941539"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05868"
                           xFract="-0.00695261"
                           y3="6.53429"
                           yFract="0.77420498"
                           z3="8.42925"
                           zFract="0.37935419"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34679"
                           xFract="0.75198934"
                           y3="0.01013"
                           yFract="0.00120024"
                           z3="4.24186"
                           zFract="0.19090279"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36682"
                           xFract="0.04346209"
                           y3="1.91905"
                           yFract="0.22737559"
                           z3="9.07288"
                           zFract="0.40832043"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.37023"
                           xFract="0.75476659"
                           y3="6.3121"
                           yFract="0.74787915"
                           z3="6.34032"
                           zFract="0.28534293"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20849"
                           xFract="0.49863626"
                           y3="6.33018"
                           yFract="0.75002133"
                           z3="4.21909"
                           zFract="0.18987804"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41258"
                           xFract="0.99675118"
                           y3="0.08296"
                           yFract="0.00982938"
                           z3="6.36982"
                           zFract="0.28667057"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42447"
                           xFract="0.99815995"
                           y3="2.11188"
                           yFract="0.25022275"
                           z3="4.20682"
                           zFract="0.18932583"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08676"
                           xFract="0.24724645"
                           y3="4.41757"
                           yFract="0.52340877"
                           z3="8.60679"
                           zFract="0.38734428"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09014"
                           xFract="0.24764692"
                           y3="4.20507"
                           yFract="0.49823104"
                           z3="4.2848"
                           zFract="0.19283528"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07328"
                           xFract="0.24564929"
                           y3="6.34743"
                           yFract="0.75206517"
                           z3="6.38342"
                           zFract="0.28728263"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11145"
                           xFract="0.2501718"
                           y3="0.0096"
                           yFract="0.00113744"
                           z3="4.23745"
                           zFract="0.19070432"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29641"
                           xFract="0.50905332"
                           y3="-0.00165"
                           yFract="-0.0001955"
                           z3="6.33131"
                           zFract="0.28493744"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36967"
                           xFract="0.75470024"
                           y3="2.13413"
                           yFract="0.252859"
                           z3="6.38053"
                           zFract="0.28715257"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.81098"
                           xFract="0.80698815"
                           y3="4.08222"
                           yFract="0.48367536"
                           z3="8.69607"
                           zFract="0.39136229"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.11869"
                           xFract="0.48799645"
                           y3="2.39894"
                           yFract="0.2842346"
                           z3="8.49919"
                           zFract="0.3825018"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43258"
                           xFract="0.99912085"
                           y3="6.31168"
                           yFract="0.74782938"
                           z3="4.25132"
                           zFract="0.19132853"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39766"
                           xFract="0.99498341"
                           y3="4.16152"
                           yFract="0.49307109"
                           z3="6.48663"
                           zFract="0.29192754"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21794"
                           xFract="0.49975592"
                           y3="2.11705"
                           yFract="0.25083531"
                           z3="4.25135"
                           zFract="0.19132988"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03493"
                           xFract="0.24110545"
                           y3="2.06258"
                           yFract="0.24438152"
                           z3="6.45021"
                           zFract="0.29028848"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36814"
                           xFract="0.75451896"
                           y3="4.20866"
                           yFract="0.4986564"
                           z3="4.24216"
                           zFract="0.19091629"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63823"
                           xFract="0.54955332"
                           y3="6.26387"
                           yFract="0.74216469"
                           z3="8.59075"
                           zFract="0.38662241"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.27908"
                           xFract="0.5070"
                           y3="4.21848"
                           yFract="0.49981991"
                           z3="6.46883"
                           zFract="0.29112646"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36626"
                           xFract="0.28036256"
                           y3="-0.12996"
                           yFract="-0.0153981"
                           z3="8.4935"
                           zFract="0.38224572"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27817"
                           xFract="0.743859"
                           y3="0.61808"
                           yFract="0.07323223"
                           z3="8.53989"
                           zFract="0.38433348"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27153"
                           xFract="0.9800391"
                           y3="2.02891"
                           yFract="0.24039218"
                           z3="6.23057"
                           zFract="0.28040369"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.21072"
                           xFract="0.26193365"
                           y3="8.41926"
                           yFract="0.99754265"
                           z3="6.3093"
                           zFract="0.28394689"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01824"
                           xFract="0.00216114"
                           y3="0.01388"
                           yFract="0.00164455"
                           z3="4.25621"
                           zFract="0.1915486"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29275"
                           xFract="0.98255332"
                           y3="0.18404"
                           yFract="0.02180569"
                           z3="8.37143"
                           zFract="0.37675203"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13289"
                           xFract="0.25271209"
                           y3="2.11976"
                           yFract="0.2511564"
                           z3="4.31965"
                           zFract="0.19440369"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16003"
                           xFract="0.25592773"
                           y3="1.80102"
                           yFract="0.213391"
                           z3="8.50856"
                           zFract="0.38292349"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.44103"
                           xFract="0.52618839"
                           y3="2.10869"
                           yFract="0.24984479"
                           z3="6.37794"
                           zFract="0.287036"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34504"
                           xFract="0.75178199"
                           y3="8.33051"
                           yFract="0.98702725"
                           z3="6.27851"
                           zFract="0.28256121"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2212"
                           xFract="0.50014218"
                           y3="8.31473"
                           yFract="0.98515758"
                           z3="4.19894"
                           zFract="0.1889712"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.47969"
                           xFract="0.53076896"
                           y3="-0.2173"
                           yFract="-0.02574645"
                           z3="8.49067"
                           zFract="0.38211836"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29065"
                           xFract="0.74533768"
                           y3="2.06937"
                           yFract="0.24518602"
                           z3="4.04782"
                           zFract="0.18217012"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.01516"
                           xFract="0.83118009"
                           y3="2.31138"
                           yFract="0.27386019"
                           z3="9.30315"
                           zFract="0.41868362"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41218"
                           xFract="0.99670379"
                           y3="6.52332"
                           yFract="0.77290521"
                           z3="6.34625"
                           zFract="0.28560981"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93944"
                           xFract="0.22979147"
                           y3="4.23285"
                           yFract="0.50152251"
                           z3="6.51263"
                           zFract="0.29309766"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03396"
                           xFract="0.0040237"
                           y3="4.19325"
                           yFract="0.49683057"
                           z3="4.12828"
                           zFract="0.18579118"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94495"
                           xFract="0.1119609"
                           y3="3.51477"
                           yFract="0.41644194"
                           z3="9.93587"
                           zFract="0.44715887"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21026"
                           xFract="0.26187915"
                           y3="6.31491"
                           yFract="0.74821209"
                           z3="4.28995"
                           zFract="0.19306706"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88422"
                           xFract="0.22324882"
                           y3="6.43366"
                           yFract="0.76228199"
                           z3="8.48771"
                           zFract="0.38198515"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25118"
                           xFract="0.50369431"
                           y3="6.32597"
                           yFract="0.74952251"
                           z3="6.2127"
                           zFract="0.27959946"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42534"
                           xFract="0.76129621"
                           y3="4.30844"
                           yFract="0.51047867"
                           z3="6.27486"
                           zFract="0.28239694"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1839"
                           xFract="0.49572275"
                           y3="4.35239"
                           yFract="0.51568602"
                           z3="4.29195"
                           zFract="0.19315707"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06324"
                           xFract="0.48142654"
                           y3="4.40622"
                           yFract="0.52206398"
                           z3="8.55058"
                           zFract="0.38481458"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19027"
                           xFract="0.73344431"
                           y3="6.36538"
                           yFract="0.75419194"
                           z3="4.20099"
                           zFract="0.18906346"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59863"
                           xFract="0.7818282"
                           y3="5.97762"
                           yFract="0.70824882"
                           z3="8.4274"
                           zFract="0.37927093"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.264">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19697"
                           xFract="0.02333768"
                           y3="3.89995"
                           yFract="0.46207938"
                           z3="10.42034"
                           zFract="0.4689622"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05767"
                           xFract="-0.00683294"
                           y3="6.53398"
                           yFract="0.77416825"
                           z3="8.4305"
                           zFract="0.37941044"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34856"
                           xFract="0.75219905"
                           y3="0.01004"
                           yFract="0.00118957"
                           z3="4.24159"
                           zFract="0.19089064"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36445"
                           xFract="0.04318128"
                           y3="1.91971"
                           yFract="0.22745379"
                           z3="9.0743"
                           zFract="0.40838434"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36989"
                           xFract="0.7547263"
                           y3="6.31108"
                           yFract="0.74775829"
                           z3="6.34025"
                           zFract="0.28533978"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20877"
                           xFract="0.49866943"
                           y3="6.32953"
                           yFract="0.74994431"
                           z3="4.22004"
                           zFract="0.18992079"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41252"
                           xFract="0.99674408"
                           y3="0.08276"
                           yFract="0.00980569"
                           z3="6.37287"
                           zFract="0.28680783"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42482"
                           xFract="0.99820142"
                           y3="2.11074"
                           yFract="0.25008768"
                           z3="4.20608"
                           zFract="0.18929253"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08924"
                           xFract="0.24754028"
                           y3="4.41543"
                           yFract="0.52315521"
                           z3="8.60419"
                           zFract="0.38722727"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09071"
                           xFract="0.24771445"
                           y3="4.20346"
                           yFract="0.49804028"
                           z3="4.28538"
                           zFract="0.19286139"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07273"
                           xFract="0.24558412"
                           y3="6.34687"
                           yFract="0.75199882"
                           z3="6.38355"
                           zFract="0.28728848"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11142"
                           xFract="0.25016825"
                           y3="0.00832"
                           yFract="0.00098578"
                           z3="4.23868"
                           zFract="0.19075968"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29617"
                           xFract="0.50902488"
                           y3="-0.00227"
                           yFract="-0.00026896"
                           z3="6.33232"
                           zFract="0.2849829"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36968"
                           xFract="0.75470142"
                           y3="2.1336"
                           yFract="0.25279621"
                           z3="6.38353"
                           zFract="0.28728758"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80867"
                           xFract="0.80671445"
                           y3="4.0849"
                           yFract="0.48399289"
                           z3="8.70299"
                           zFract="0.39167372"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12458"
                           xFract="0.48869431"
                           y3="2.39674"
                           yFract="0.28397393"
                           z3="8.49957"
                           zFract="0.3825189"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.4334"
                           xFract="0.99921801"
                           y3="6.31221"
                           yFract="0.74789218"
                           z3="4.25245"
                           zFract="0.19137939"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39653"
                           xFract="0.99484953"
                           y3="4.16068"
                           yFract="0.49297156"
                           z3="6.48908"
                           zFract="0.2920378"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21854"
                           xFract="0.49982701"
                           y3="2.1167"
                           yFract="0.25079384"
                           z3="4.25005"
                           zFract="0.19127138"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03621"
                           xFract="0.24125711"
                           y3="2.06155"
                           yFract="0.24425948"
                           z3="6.45141"
                           zFract="0.29034248"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36851"
                           xFract="0.7545628"
                           y3="4.20808"
                           yFract="0.49858768"
                           z3="4.24301"
                           zFract="0.19095455"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63647"
                           xFract="0.54934479"
                           y3="6.26544"
                           yFract="0.74235071"
                           z3="8.58989"
                           zFract="0.38658371"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2813"
                           xFract="0.50726303"
                           y3="4.21844"
                           yFract="0.49981517"
                           z3="6.46826"
                           zFract="0.29110081"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.3657"
                           xFract="0.28029621"
                           y3="-0.13168"
                           yFract="-0.0156019"
                           z3="8.49273"
                           zFract="0.38221107"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27972"
                           xFract="0.74404265"
                           y3="0.62032"
                           yFract="0.07349763"
                           z3="8.54341"
                           zFract="0.3844919"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27244"
                           xFract="0.98014692"
                           y3="2.03002"
                           yFract="0.2405237"
                           z3="6.23158"
                           zFract="0.28044914"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20979"
                           xFract="0.26182346"
                           y3="8.41716"
                           yFract="0.99729384"
                           z3="6.31072"
                           zFract="0.2840108"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01826"
                           xFract="0.00216351"
                           y3="0.01314"
                           yFract="0.00155687"
                           z3="4.25608"
                           zFract="0.19154275"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29267"
                           xFract="0.98254384"
                           y3="0.18343"
                           yFract="0.02173341"
                           z3="8.3735"
                           zFract="0.37684518"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13332"
                           xFract="0.25276303"
                           y3="2.11861"
                           yFract="0.25102014"
                           z3="4.32011"
                           zFract="0.19442439"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16303"
                           xFract="0.25628318"
                           y3="1.79867"
                           yFract="0.21311256"
                           z3="8.50899"
                           zFract="0.38294284"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43914"
                           xFract="0.52596445"
                           y3="2.10855"
                           yFract="0.2498282"
                           z3="6.37658"
                           zFract="0.2869748"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34538"
                           xFract="0.75182227"
                           y3="8.33033"
                           yFract="0.98700592"
                           z3="6.27715"
                           zFract="0.2825"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22142"
                           xFract="0.50016825"
                           y3="8.31453"
                           yFract="0.98513389"
                           z3="4.20044"
                           zFract="0.1890387"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48071"
                           xFract="0.53088981"
                           y3="-0.21418"
                           yFract="-0.02537678"
                           z3="8.49215"
                           zFract="0.38218497"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28955"
                           xFract="0.74520735"
                           y3="2.06986"
                           yFract="0.24524408"
                           z3="4.04814"
                           zFract="0.18218452"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.02069"
                           xFract="0.83183531"
                           y3="2.3127"
                           yFract="0.27401659"
                           z3="9.30376"
                           zFract="0.41871107"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41209"
                           xFract="0.99669313"
                           y3="6.52153"
                           yFract="0.77269313"
                           z3="6.34788"
                           zFract="0.28568317"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93976"
                           xFract="0.22982938"
                           y3="4.23068"
                           yFract="0.5012654"
                           z3="6.51139"
                           zFract="0.29304185"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03398"
                           xFract="0.00402607"
                           y3="4.19349"
                           yFract="0.496859"
                           z3="4.12797"
                           zFract="0.18577723"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94609"
                           xFract="0.11209597"
                           y3="3.51796"
                           yFract="0.41681991"
                           z3="9.93334"
                           zFract="0.447045"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21043"
                           xFract="0.26189929"
                           y3="6.31411"
                           yFract="0.7481173"
                           z3="4.29022"
                           zFract="0.19307921"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8858"
                           xFract="0.22343602"
                           y3="6.43181"
                           yFract="0.7620628"
                           z3="8.48802"
                           zFract="0.3819991"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25197"
                           xFract="0.50378791"
                           y3="6.32587"
                           yFract="0.74951066"
                           z3="6.21275"
                           zFract="0.27960171"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42375"
                           xFract="0.76110782"
                           y3="4.30822"
                           yFract="0.51045261"
                           z3="6.27545"
                           zFract="0.28242349"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18371"
                           xFract="0.49570024"
                           y3="4.35206"
                           yFract="0.51564692"
                           z3="4.29132"
                           zFract="0.19312871"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06726"
                           xFract="0.48190284"
                           y3="4.40463"
                           yFract="0.52187559"
                           z3="8.54974"
                           zFract="0.38477678"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19024"
                           xFract="0.73344076"
                           y3="6.36502"
                           yFract="0.75414929"
                           z3="4.20092"
                           zFract="0.18906031"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59729"
                           xFract="0.78166943"
                           y3="5.97908"
                           yFract="0.7084218"
                           z3="8.42987"
                           zFract="0.37938209"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.265">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19736"
                           xFract="0.02338389"
                           y3="3.89819"
                           yFract="0.46187085"
                           z3="10.42373"
                           zFract="0.46911476"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05801"
                           xFract="-0.00687322"
                           y3="6.53409"
                           yFract="0.77418128"
                           z3="8.43008"
                           zFract="0.37939154"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34797"
                           xFract="0.75212915"
                           y3="0.01007"
                           yFract="0.00119313"
                           z3="4.24168"
                           zFract="0.19089469"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36525"
                           xFract="0.04327607"
                           y3="1.91949"
                           yFract="0.22742773"
                           z3="9.07383"
                           zFract="0.40836319"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3700"
                           xFract="0.75473934"
                           y3="6.31142"
                           yFract="0.74779858"
                           z3="6.34027"
                           zFract="0.28534068"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20868"
                           xFract="0.49865877"
                           y3="6.32975"
                           yFract="0.74997038"
                           z3="4.21972"
                           zFract="0.18990639"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41254"
                           xFract="0.99674645"
                           y3="0.08282"
                           yFract="0.0098128"
                           z3="6.37184"
                           zFract="0.28676148"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.4247"
                           xFract="0.9981872"
                           y3="2.11112"
                           yFract="0.2501327"
                           z3="4.20633"
                           zFract="0.18930378"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0884"
                           xFract="0.24744076"
                           y3="4.41615"
                           yFract="0.52324052"
                           z3="8.60507"
                           zFract="0.38726688"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09052"
                           xFract="0.24769194"
                           y3="4.2040"
                           yFract="0.49810427"
                           z3="4.28518"
                           zFract="0.19285239"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07292"
                           xFract="0.24560664"
                           y3="6.34706"
                           yFract="0.75202133"
                           z3="6.3835"
                           zFract="0.28728623"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11143"
                           xFract="0.25016943"
                           y3="0.00875"
                           yFract="0.00103673"
                           z3="4.23827"
                           zFract="0.19074122"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29625"
                           xFract="0.50903436"
                           y3="-0.00206"
                           yFract="-0.00024408"
                           z3="6.33198"
                           zFract="0.2849676"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36968"
                           xFract="0.75470142"
                           y3="2.13378"
                           yFract="0.25281754"
                           z3="6.38252"
                           zFract="0.28724212"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80945"
                           xFract="0.80680687"
                           y3="4.0840"
                           yFract="0.48388626"
                           z3="8.70066"
                           zFract="0.39156886"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.1226"
                           xFract="0.48845972"
                           y3="2.39748"
                           yFract="0.28406161"
                           z3="8.49944"
                           zFract="0.38251305"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43312"
                           xFract="0.99918483"
                           y3="6.31203"
                           yFract="0.74787085"
                           z3="4.25207"
                           zFract="0.19136229"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39692"
                           xFract="0.99489573"
                           y3="4.16096"
                           yFract="0.49300474"
                           z3="6.48825"
                           zFract="0.29200045"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21834"
                           xFract="0.49980332"
                           y3="2.11682"
                           yFract="0.25080806"
                           z3="4.25049"
                           zFract="0.19129118"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03578"
                           xFract="0.24120616"
                           y3="2.0619"
                           yFract="0.24430095"
                           z3="6.4510"
                           zFract="0.29032403"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36838"
                           xFract="0.75454739"
                           y3="4.20827"
                           yFract="0.49861019"
                           z3="4.24272"
                           zFract="0.19094149"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63706"
                           xFract="0.54941469"
                           y3="6.26491"
                           yFract="0.74228791"
                           z3="8.59018"
                           zFract="0.38659676"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28056"
                           xFract="0.50717536"
                           y3="4.21845"
                           yFract="0.49981635"
                           z3="6.46845"
                           zFract="0.29110936"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36589"
                           xFract="0.28031872"
                           y3="-0.1311"
                           yFract="-0.01553318"
                           z3="8.49299"
                           zFract="0.38222277"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.2792"
                           xFract="0.74398104"
                           y3="0.61957"
                           yFract="0.07340877"
                           z3="8.54222"
                           zFract="0.38443834"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27213"
                           xFract="0.98011019"
                           y3="2.02965"
                           yFract="0.24047986"
                           z3="6.23124"
                           zFract="0.28043384"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.2101"
                           xFract="0.26186019"
                           y3="8.41787"
                           yFract="0.99737796"
                           z3="6.31024"
                           zFract="0.2839892"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01825"
                           xFract="0.00216232"
                           y3="0.01339"
                           yFract="0.00158649"
                           z3="4.25612"
                           zFract="0.19154455"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29269"
                           xFract="0.98254621"
                           y3="0.18364"
                           yFract="0.02175829"
                           z3="8.3728"
                           zFract="0.37681368"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13318"
                           xFract="0.25274645"
                           y3="2.1190"
                           yFract="0.25106635"
                           z3="4.31995"
                           zFract="0.19441719"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16202"
                           xFract="0.25616351"
                           y3="1.79946"
                           yFract="0.21320616"
                           z3="8.50884"
                           zFract="0.38293609"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43977"
                           xFract="0.5260391"
                           y3="2.1086"
                           yFract="0.24983412"
                           z3="6.37704"
                           zFract="0.2869955"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34527"
                           xFract="0.75180924"
                           y3="8.3304"
                           yFract="0.98701422"
                           z3="6.27761"
                           zFract="0.2825207"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22135"
                           xFract="0.50015995"
                           y3="8.3146"
                           yFract="0.98514218"
                           z3="4.19993"
                           zFract="0.18901575"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48037"
                           xFract="0.53084953"
                           y3="-0.21523"
                           yFract="-0.02550118"
                           z3="8.49165"
                           zFract="0.38216247"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28992"
                           xFract="0.74525118"
                           y3="2.0697"
                           yFract="0.24522512"
                           z3="4.04803"
                           zFract="0.18217957"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.01883"
                           xFract="0.83161493"
                           y3="2.31226"
                           yFract="0.27396445"
                           z3="9.30355"
                           zFract="0.41870162"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41212"
                           xFract="0.99669668"
                           y3="6.52213"
                           yFract="0.77276422"
                           z3="6.34733"
                           zFract="0.28565842"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93965"
                           xFract="0.22981635"
                           y3="4.23141"
                           yFract="0.5013519"
                           z3="6.5118"
                           zFract="0.29306031"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03397"
                           xFract="0.00402488"
                           y3="4.19341"
                           yFract="0.49684953"
                           z3="4.12808"
                           zFract="0.18578218"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94571"
                           xFract="0.11205095"
                           y3="3.51688"
                           yFract="0.41669194"
                           z3="9.93419"
                           zFract="0.44708326"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21037"
                           xFract="0.26189218"
                           y3="6.31438"
                           yFract="0.74814929"
                           z3="4.29013"
                           zFract="0.19307516"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88527"
                           xFract="0.22337322"
                           y3="6.43244"
                           yFract="0.76213744"
                           z3="8.48792"
                           zFract="0.3819946"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2517"
                           xFract="0.50375592"
                           y3="6.32591"
                           yFract="0.7495154"
                           z3="6.21273"
                           zFract="0.27960081"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42429"
                           xFract="0.7611718"
                           y3="4.3083"
                           yFract="0.51046209"
                           z3="6.27525"
                           zFract="0.28241449"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18378"
                           xFract="0.49570853"
                           y3="4.35217"
                           yFract="0.51565995"
                           z3="4.29153"
                           zFract="0.19313816"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.0659"
                           xFract="0.48174171"
                           y3="4.40516"
                           yFract="0.52193839"
                           z3="8.55003"
                           zFract="0.38478983"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19025"
                           xFract="0.73344194"
                           y3="6.36514"
                           yFract="0.75416351"
                           z3="4.20094"
                           zFract="0.18906121"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59774"
                           xFract="0.78172275"
                           y3="5.97859"
                           yFract="0.70836374"
                           z3="8.42904"
                           zFract="0.37934473"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.266">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19632"
                           xFract="0.02326066"
                           y3="3.89995"
                           yFract="0.46207938"
                           z3="10.42199"
                           zFract="0.46903645"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.0579"
                           xFract="-0.00686019"
                           y3="6.53391"
                           yFract="0.77415995"
                           z3="8.43042"
                           zFract="0.37940684"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3483"
                           xFract="0.75216825"
                           y3="0.01008"
                           yFract="0.00119431"
                           z3="4.2417"
                           zFract="0.19089559"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36607"
                           xFract="0.04337322"
                           y3="1.91975"
                           yFract="0.22745853"
                           z3="9.07399"
                           zFract="0.40837039"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36993"
                           xFract="0.75473104"
                           y3="6.3112"
                           yFract="0.74777251"
                           z3="6.3403"
                           zFract="0.28534203"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20874"
                           xFract="0.49866588"
                           y3="6.3296"
                           yFract="0.74995261"
                           z3="4.21997"
                           zFract="0.18991764"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41251"
                           xFract="0.99674289"
                           y3="0.0828"
                           yFract="0.00981043"
                           z3="6.3724"
                           zFract="0.28678668"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42477"
                           xFract="0.9981955"
                           y3="2.11079"
                           yFract="0.2500936"
                           z3="4.20619"
                           zFract="0.18929748"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.08919"
                           xFract="0.24753436"
                           y3="4.4157"
                           yFract="0.5231872"
                           z3="8.60418"
                           zFract="0.38722682"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09065"
                           xFract="0.24770735"
                           y3="4.2036"
                           yFract="0.49805687"
                           z3="4.28537"
                           zFract="0.19286094"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07275"
                           xFract="0.24558649"
                           y3="6.34691"
                           yFract="0.75200355"
                           z3="6.38335"
                           zFract="0.28727948"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11134"
                           xFract="0.25015877"
                           y3="0.00844"
                           yFract="0.0010"
                           z3="4.2386"
                           zFract="0.19075608"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29623"
                           xFract="0.50903199"
                           y3="-0.00214"
                           yFract="-0.00025355"
                           z3="6.33223"
                           zFract="0.28497885"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36969"
                           xFract="0.75470261"
                           y3="2.13374"
                           yFract="0.2528128"
                           z3="6.38321"
                           zFract="0.28727318"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80894"
                           xFract="0.80674645"
                           y3="4.08462"
                           yFract="0.48395972"
                           z3="8.70213"
                           zFract="0.39163501"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12403"
                           xFract="0.48862915"
                           y3="2.3967"
                           yFract="0.28396919"
                           z3="8.49948"
                           zFract="0.38251485"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43339"
                           xFract="0.99921682"
                           y3="6.3122"
                           yFract="0.747891"
                           z3="4.25245"
                           zFract="0.19137939"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39667"
                           xFract="0.99486611"
                           y3="4.16073"
                           yFract="0.49297749"
                           z3="6.48883"
                           zFract="0.29202655"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21841"
                           xFract="0.49981161"
                           y3="2.11675"
                           yFract="0.25079976"
                           z3="4.25019"
                           zFract="0.19127768"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03615"
                           xFract="0.24125"
                           y3="2.06168"
                           yFract="0.24427488"
                           z3="6.45135"
                           zFract="0.29033978"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36845"
                           xFract="0.75455569"
                           y3="4.20812"
                           yFract="0.49859242"
                           z3="4.24292"
                           zFract="0.1909505"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63684"
                           xFract="0.54938863"
                           y3="6.26546"
                           yFract="0.74235308"
                           z3="8.5899"
                           zFract="0.38658416"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28112"
                           xFract="0.50724171"
                           y3="4.21834"
                           yFract="0.49980332"
                           z3="6.46838"
                           zFract="0.29110621"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36574"
                           xFract="0.28030095"
                           y3="-0.13144"
                           yFract="-0.01557346"
                           z3="8.49284"
                           zFract="0.38221602"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27942"
                           xFract="0.74400711"
                           y3="0.61989"
                           yFract="0.07344668"
                           z3="8.54282"
                           zFract="0.38446535"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27251"
                           xFract="0.98015521"
                           y3="2.02988"
                           yFract="0.24050711"
                           z3="6.23141"
                           zFract="0.28044149"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20976"
                           xFract="0.26181991"
                           y3="8.41745"
                           yFract="0.9973282"
                           z3="6.3105"
                           zFract="0.2840009"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01817"
                           xFract="0.00215284"
                           y3="0.0132"
                           yFract="0.00156398"
                           z3="4.2561"
                           zFract="0.19154365"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29249"
                           xFract="0.98252251"
                           y3="0.18346"
                           yFract="0.02173697"
                           z3="8.37344"
                           zFract="0.37684248"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13331"
                           xFract="0.25276185"
                           y3="2.11864"
                           yFract="0.2510237"
                           z3="4.32014"
                           zFract="0.19442574"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16221"
                           xFract="0.25618602"
                           y3="1.79915"
                           yFract="0.21316943"
                           z3="8.50905"
                           zFract="0.38294554"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.4394"
                           xFract="0.52599526"
                           y3="2.10848"
                           yFract="0.24981991"
                           z3="6.37668"
                           zFract="0.2869793"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34536"
                           xFract="0.75181991"
                           y3="8.33027"
                           yFract="0.98699882"
                           z3="6.27737"
                           zFract="0.2825099"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22138"
                           xFract="0.50016351"
                           y3="8.3146"
                           yFract="0.98514218"
                           z3="4.20029"
                           zFract="0.18903195"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48057"
                           xFract="0.53087322"
                           y3="-0.21446"
                           yFract="-0.02540995"
                           z3="8.49213"
                           zFract="0.38218407"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28965"
                           xFract="0.74521919"
                           y3="2.0698"
                           yFract="0.24523697"
                           z3="4.04821"
                           zFract="0.18218767"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.01933"
                           xFract="0.83167417"
                           y3="2.31255"
                           yFract="0.27399882"
                           z3="9.30376"
                           zFract="0.41871107"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41208"
                           xFract="0.99669194"
                           y3="6.52171"
                           yFract="0.77271445"
                           z3="6.3478"
                           zFract="0.28567957"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93972"
                           xFract="0.22982464"
                           y3="4.23115"
                           yFract="0.50132109"
                           z3="6.51146"
                           zFract="0.293045"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03391"
                           xFract="0.00401777"
                           y3="4.19345"
                           yFract="0.49685427"
                           z3="4.12804"
                           zFract="0.18578038"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94627"
                           xFract="0.1121173"
                           y3="3.51741"
                           yFract="0.41675474"
                           z3="9.93284"
                           zFract="0.4470225"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21045"
                           xFract="0.26190166"
                           y3="6.31425"
                           yFract="0.74813389"
                           z3="4.29019"
                           zFract="0.19307786"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88581"
                           xFract="0.2234372"
                           y3="6.43193"
                           yFract="0.76207701"
                           z3="8.48792"
                           zFract="0.3819946"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25192"
                           xFract="0.50378199"
                           y3="6.32593"
                           yFract="0.74951777"
                           z3="6.21289"
                           zFract="0.27960801"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4239"
                           xFract="0.76112559"
                           y3="4.3081"
                           yFract="0.51043839"
                           z3="6.27549"
                           zFract="0.28242529"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18381"
                           xFract="0.49571209"
                           y3="4.35217"
                           yFract="0.51565995"
                           z3="4.29144"
                           zFract="0.19313411"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06679"
                           xFract="0.48184716"
                           y3="4.40456"
                           yFract="0.5218673"
                           z3="8.54983"
                           zFract="0.38478083"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19031"
                           xFract="0.73344905"
                           y3="6.36501"
                           yFract="0.7541481"
                           z3="4.2010"
                           zFract="0.18906391"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59766"
                           xFract="0.78171327"
                           y3="5.97894"
                           yFract="0.70840521"
                           z3="8.4296"
                           zFract="0.37936994"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.267">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19321"
                           xFract="0.02289218"
                           y3="3.90521"
                           yFract="0.46270261"
                           z3="10.41677"
                           zFract="0.46880153"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05756"
                           xFract="-0.00681991"
                           y3="6.53338"
                           yFract="0.77409716"
                           z3="8.43147"
                           zFract="0.3794541"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3493"
                           xFract="0.75228673"
                           y3="0.01013"
                           yFract="0.00120024"
                           z3="4.24177"
                           zFract="0.19089874"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36855"
                           xFract="0.04366706"
                           y3="1.92054"
                           yFract="0.22755213"
                           z3="9.0745"
                           zFract="0.40839334"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36971"
                           xFract="0.75470498"
                           y3="6.31053"
                           yFract="0.74769313"
                           z3="6.34039"
                           zFract="0.28534608"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20894"
                           xFract="0.49868957"
                           y3="6.32916"
                           yFract="0.74990047"
                           z3="4.22072"
                           zFract="0.1899514"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41243"
                           xFract="0.99673341"
                           y3="0.08271"
                           yFract="0.00979976"
                           z3="6.37407"
                           zFract="0.28686184"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42498"
                           xFract="0.99822038"
                           y3="2.1098"
                           yFract="0.2499763"
                           z3="4.20576"
                           zFract="0.18927813"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09157"
                           xFract="0.24781635"
                           y3="4.41432"
                           yFract="0.5230237"
                           z3="8.6015"
                           zFract="0.38710621"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09103"
                           xFract="0.24775237"
                           y3="4.20237"
                           yFract="0.49791114"
                           z3="4.28594"
                           zFract="0.19288659"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07227"
                           xFract="0.24552962"
                           y3="6.34644"
                           yFract="0.75194787"
                           z3="6.38289"
                           zFract="0.28725878"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11106"
                           xFract="0.25012559"
                           y3="0.00752"
                           yFract="0.000891"
                           z3="4.23958"
                           zFract="0.19080018"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29615"
                           xFract="0.50902251"
                           y3="-0.00236"
                           yFract="-0.00027962"
                           z3="6.3330"
                           zFract="0.2850135"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36973"
                           xFract="0.75470735"
                           y3="2.13363"
                           yFract="0.25279976"
                           z3="6.38531"
                           zFract="0.28736769"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.8074"
                           xFract="0.80656398"
                           y3="4.08648"
                           yFract="0.48418009"
                           z3="8.70652"
                           zFract="0.39183258"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12832"
                           xFract="0.48913744"
                           y3="2.39435"
                           yFract="0.28369076"
                           z3="8.4996"
                           zFract="0.38252025"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43419"
                           xFract="0.99931161"
                           y3="6.31271"
                           yFract="0.74795142"
                           z3="4.25357"
                           zFract="0.19142979"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39594"
                           xFract="0.99477962"
                           y3="4.16004"
                           yFract="0.49289573"
                           z3="6.49056"
                           zFract="0.29210441"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21864"
                           xFract="0.49983886"
                           y3="2.11653"
                           yFract="0.2507737"
                           z3="4.24929"
                           zFract="0.19123717"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03726"
                           xFract="0.24138152"
                           y3="2.06104"
                           yFract="0.24419905"
                           z3="6.4524"
                           zFract="0.29038704"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36863"
                           xFract="0.75457701"
                           y3="4.20767"
                           yFract="0.4985391"
                           z3="4.24351"
                           zFract="0.19097705"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63615"
                           xFract="0.54930687"
                           y3="6.26711"
                           yFract="0.74254858"
                           z3="8.58908"
                           zFract="0.38654725"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2828"
                           xFract="0.50744076"
                           y3="4.21801"
                           yFract="0.49976422"
                           z3="6.46816"
                           zFract="0.29109631"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36529"
                           xFract="0.28024763"
                           y3="-0.13244"
                           yFract="-0.01569194"
                           z3="8.49239"
                           zFract="0.38219577"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28006"
                           xFract="0.74408294"
                           y3="0.62087"
                           yFract="0.0735628"
                           z3="8.5446"
                           zFract="0.38454545"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27364"
                           xFract="0.9802891"
                           y3="2.0306"
                           yFract="0.24059242"
                           z3="6.23194"
                           zFract="0.28046535"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20872"
                           xFract="0.26169668"
                           y3="8.41619"
                           yFract="0.99717891"
                           z3="6.31128"
                           zFract="0.284036"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01794"
                           xFract="0.00212559"
                           y3="0.01265"
                           yFract="0.00149882"
                           z3="4.25604"
                           zFract="0.19154095"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29189"
                           xFract="0.98245142"
                           y3="0.18292"
                           yFract="0.02167299"
                           z3="8.37537"
                           zFract="0.37692934"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13372"
                           xFract="0.25281043"
                           y3="2.11757"
                           yFract="0.25089692"
                           z3="4.32069"
                           zFract="0.1944505"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16277"
                           xFract="0.25625237"
                           y3="1.79819"
                           yFract="0.21305569"
                           z3="8.50967"
                           zFract="0.38297345"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43826"
                           xFract="0.52586019"
                           y3="2.10811"
                           yFract="0.24977607"
                           z3="6.37562"
                           zFract="0.28693159"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34563"
                           xFract="0.7518519"
                           y3="8.32988"
                           yFract="0.98695261"
                           z3="6.27665"
                           zFract="0.2824775"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22147"
                           xFract="0.50017417"
                           y3="8.31458"
                           yFract="0.98513981"
                           z3="4.20135"
                           zFract="0.18907966"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48118"
                           xFract="0.5309455"
                           y3="-0.21216"
                           yFract="-0.02513744"
                           z3="8.49355"
                           zFract="0.38224797"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28886"
                           xFract="0.74512559"
                           y3="2.07011"
                           yFract="0.2452737"
                           z3="4.04876"
                           zFract="0.18221242"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.02082"
                           xFract="0.83185071"
                           y3="2.31345"
                           yFract="0.27410545"
                           z3="9.30438"
                           zFract="0.41873897"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41198"
                           xFract="0.99668009"
                           y3="6.52043"
                           yFract="0.7725628"
                           z3="6.34921"
                           zFract="0.28574302"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93993"
                           xFract="0.22984953"
                           y3="4.23036"
                           yFract="0.50122749"
                           z3="6.51043"
                           zFract="0.29299865"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03373"
                           xFract="0.00399645"
                           y3="4.19359"
                           yFract="0.49687085"
                           z3="4.12792"
                           zFract="0.18577498"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94796"
                           xFract="0.11231754"
                           y3="3.51899"
                           yFract="0.41694194"
                           z3="9.92881"
                           zFract="0.44684113"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2107"
                           xFract="0.26193128"
                           y3="6.31385"
                           yFract="0.74808649"
                           z3="4.29035"
                           zFract="0.19308506"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88746"
                           xFract="0.2236327"
                           y3="6.43043"
                           yFract="0.76189929"
                           z3="8.48795"
                           zFract="0.38199595"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25259"
                           xFract="0.50386137"
                           y3="6.32601"
                           yFract="0.74952725"
                           z3="6.21335"
                           zFract="0.27962871"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42272"
                           xFract="0.76098578"
                           y3="4.30751"
                           yFract="0.51036848"
                           z3="6.27623"
                           zFract="0.2824586"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1839"
                           xFract="0.49572275"
                           y3="4.35216"
                           yFract="0.51565877"
                           z3="4.29118"
                           zFract="0.19312241"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06945"
                           xFract="0.48216232"
                           y3="4.40273"
                           yFract="0.52165047"
                           z3="8.54925"
                           zFract="0.38475473"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19047"
                           xFract="0.73346801"
                           y3="6.36462"
                           yFract="0.7541019"
                           z3="4.20116"
                           zFract="0.18907111"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59741"
                           xFract="0.78168365"
                           y3="5.9800"
                           yFract="0.70853081"
                           z3="8.43128"
                           zFract="0.37944554"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.268">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.1939"
                           xFract="0.02297393"
                           y3="3.90405"
                           yFract="0.46256517"
                           z3="10.41792"
                           zFract="0.46885329"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05763"
                           xFract="-0.0068282"
                           y3="6.5335"
                           yFract="0.77411137"
                           z3="8.43124"
                           zFract="0.37944374"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34908"
                           xFract="0.75226066"
                           y3="0.01012"
                           yFract="0.00119905"
                           z3="4.24176"
                           zFract="0.19089829"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.3680"
                           xFract="0.0436019"
                           y3="1.92037"
                           yFract="0.22753199"
                           z3="9.07439"
                           zFract="0.40838839"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36976"
                           xFract="0.7547109"
                           y3="6.31067"
                           yFract="0.74770972"
                           z3="6.34037"
                           zFract="0.28534518"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2089"
                           xFract="0.49868483"
                           y3="6.32926"
                           yFract="0.74991232"
                           z3="4.22055"
                           zFract="0.18994374"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41245"
                           xFract="0.99673578"
                           y3="0.08273"
                           yFract="0.00980213"
                           z3="6.3737"
                           zFract="0.28684518"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42493"
                           xFract="0.99821445"
                           y3="2.11002"
                           yFract="0.25000237"
                           z3="4.20585"
                           zFract="0.18928218"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09104"
                           xFract="0.24775355"
                           y3="4.41463"
                           yFract="0.52306043"
                           z3="8.60209"
                           zFract="0.38713276"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09095"
                           xFract="0.24774289"
                           y3="4.20264"
                           yFract="0.49794313"
                           z3="4.28582"
                           zFract="0.19288119"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07237"
                           xFract="0.24554147"
                           y3="6.34654"
                           yFract="0.75195972"
                           z3="6.38299"
                           zFract="0.28726328"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11112"
                           xFract="0.2501327"
                           y3="0.00772"
                           yFract="0.00091469"
                           z3="4.23936"
                           zFract="0.19079028"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29616"
                           xFract="0.5090237"
                           y3="-0.00231"
                           yFract="-0.0002737"
                           z3="6.33283"
                           zFract="0.28500585"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36973"
                           xFract="0.75470735"
                           y3="2.13365"
                           yFract="0.25280213"
                           z3="6.38485"
                           zFract="0.28734698"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80774"
                           xFract="0.80660427"
                           y3="4.08607"
                           yFract="0.48413152"
                           z3="8.70555"
                           zFract="0.39178893"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12738"
                           xFract="0.48902607"
                           y3="2.39487"
                           yFract="0.28375237"
                           z3="8.49957"
                           zFract="0.3825189"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43401"
                           xFract="0.99929028"
                           y3="6.3126"
                           yFract="0.74793839"
                           z3="4.25332"
                           zFract="0.19141854"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3961"
                           xFract="0.99479858"
                           y3="4.16019"
                           yFract="0.49291351"
                           z3="6.49018"
                           zFract="0.29208731"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21859"
                           xFract="0.49983294"
                           y3="2.11657"
                           yFract="0.25077844"
                           z3="4.24949"
                           zFract="0.19124617"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03701"
                           xFract="0.2413519"
                           y3="2.06118"
                           yFract="0.24421564"
                           z3="6.45217"
                           zFract="0.29037669"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36859"
                           xFract="0.75457227"
                           y3="4.20777"
                           yFract="0.49855095"
                           z3="4.24338"
                           zFract="0.1909712"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6363"
                           xFract="0.54932464"
                           y3="6.26675"
                           yFract="0.74250592"
                           z3="8.58926"
                           zFract="0.38655536"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28243"
                           xFract="0.50739692"
                           y3="4.21809"
                           yFract="0.4997737"
                           z3="6.46821"
                           zFract="0.29109856"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36539"
                           xFract="0.28025948"
                           y3="-0.13222"
                           yFract="-0.01566588"
                           z3="8.49249"
                           zFract="0.38220027"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.27992"
                           xFract="0.74406635"
                           y3="0.62066"
                           yFract="0.07353791"
                           z3="8.54421"
                           zFract="0.3845279"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27339"
                           xFract="0.98025948"
                           y3="2.03044"
                           yFract="0.24057346"
                           z3="6.23183"
                           zFract="0.2804604"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20895"
                           xFract="0.26172393"
                           y3="8.41646"
                           yFract="0.9972109"
                           z3="6.31111"
                           zFract="0.28402835"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01799"
                           xFract="0.00213152"
                           y3="0.01277"
                           yFract="0.00151303"
                           z3="4.25605"
                           zFract="0.1915414"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29202"
                           xFract="0.98246682"
                           y3="0.18304"
                           yFract="0.0216872"
                           z3="8.37494"
                           zFract="0.37690999"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13363"
                           xFract="0.25279976"
                           y3="2.1178"
                           yFract="0.25092417"
                           z3="4.32057"
                           zFract="0.19444509"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16265"
                           xFract="0.25623815"
                           y3="1.7984"
                           yFract="0.21308057"
                           z3="8.50953"
                           zFract="0.38296715"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43851"
                           xFract="0.52588981"
                           y3="2.10819"
                           yFract="0.24978555"
                           z3="6.37585"
                           zFract="0.28694194"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34557"
                           xFract="0.75184479"
                           y3="8.32996"
                           yFract="0.98696209"
                           z3="6.27681"
                           zFract="0.2824847"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22145"
                           xFract="0.5001718"
                           y3="8.31459"
                           yFract="0.985141"
                           z3="4.20111"
                           zFract="0.18906886"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48104"
                           xFract="0.53092891"
                           y3="-0.21267"
                           yFract="-0.02519787"
                           z3="8.49323"
                           zFract="0.38223357"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28904"
                           xFract="0.74514692"
                           y3="2.07004"
                           yFract="0.2452654"
                           z3="4.04864"
                           zFract="0.18220702"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.02049"
                           xFract="0.83181161"
                           y3="2.31326"
                           yFract="0.27408294"
                           z3="9.30424"
                           zFract="0.41873267"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41201"
                           xFract="0.99668365"
                           y3="6.52071"
                           yFract="0.77259597"
                           z3="6.3489"
                           zFract="0.28572907"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93988"
                           xFract="0.2298436"
                           y3="4.23053"
                           yFract="0.50124763"
                           z3="6.51065"
                           zFract="0.29300855"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03377"
                           xFract="0.00400118"
                           y3="4.19356"
                           yFract="0.4968673"
                           z3="4.12795"
                           zFract="0.18577633"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94759"
                           xFract="0.1122737"
                           y3="3.51864"
                           yFract="0.41690047"
                           z3="9.9297"
                           zFract="0.44688119"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21064"
                           xFract="0.26192417"
                           y3="6.31394"
                           yFract="0.74809716"
                           z3="4.29032"
                           zFract="0.19308371"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8871"
                           xFract="0.22359005"
                           y3="6.43076"
                           yFract="0.76193839"
                           z3="8.48795"
                           zFract="0.38199595"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25244"
                           xFract="0.5038436"
                           y3="6.32599"
                           yFract="0.74952488"
                           z3="6.21325"
                           zFract="0.27962421"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42298"
                           xFract="0.76101659"
                           y3="4.30764"
                           yFract="0.51038389"
                           z3="6.27607"
                           zFract="0.2824514"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18388"
                           xFract="0.49572038"
                           y3="4.35216"
                           yFract="0.51565877"
                           z3="4.29124"
                           zFract="0.19312511"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06886"
                           xFract="0.48209242"
                           y3="4.40313"
                           yFract="0.52169787"
                           z3="8.54938"
                           zFract="0.38476058"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19044"
                           xFract="0.73346445"
                           y3="6.36471"
                           yFract="0.75411256"
                           z3="4.20112"
                           zFract="0.18906931"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59747"
                           xFract="0.78169076"
                           y3="5.97977"
                           yFract="0.70850355"
                           z3="8.43091"
                           zFract="0.37942889"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.269">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19367"
                           xFract="0.02294668"
                           y3="3.90543"
                           yFract="0.46272867"
                           z3="10.41581"
                           zFract="0.46875833"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05757"
                           xFract="-0.00682109"
                           y3="6.53329"
                           yFract="0.77408649"
                           z3="8.43161"
                           zFract="0.3794604"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34927"
                           xFract="0.75228318"
                           y3="0.01014"
                           yFract="0.00120142"
                           z3="4.24184"
                           zFract="0.19090189"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.36937"
                           xFract="0.04376422"
                           y3="1.9206"
                           yFract="0.22755924"
                           z3="9.07442"
                           zFract="0.40838974"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36972"
                           xFract="0.75470616"
                           y3="6.31052"
                           yFract="0.74769194"
                           z3="6.34046"
                           zFract="0.28534923"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20897"
                           xFract="0.49869313"
                           y3="6.32919"
                           yFract="0.74990403"
                           z3="4.22073"
                           zFract="0.18995185"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4124"
                           xFract="0.99672986"
                           y3="0.08269"
                           yFract="0.00979739"
                           z3="6.37412"
                           zFract="0.28686409"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42498"
                           xFract="0.99822038"
                           y3="2.10973"
                           yFract="0.24996801"
                           z3="4.2058"
                           zFract="0.18927993"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0920"
                           xFract="0.2478673"
                           y3="4.41426"
                           yFract="0.52301659"
                           z3="8.60105"
                           zFract="0.38708596"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09102"
                           xFract="0.24775118"
                           y3="4.20227"
                           yFract="0.49789929"
                           z3="4.28602"
                           zFract="0.19289019"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07222"
                           xFract="0.2455237"
                           y3="6.34633"
                           yFract="0.75193483"
                           z3="6.38276"
                           zFract="0.28725293"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11101"
                           xFract="0.25011967"
                           y3="0.00745"
                           yFract="0.0008827"
                           z3="4.23965"
                           zFract="0.19080333"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29619"
                           xFract="0.50902725"
                           y3="-0.00232"
                           yFract="-0.00027488"
                           z3="6.33304"
                           zFract="0.2850153"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36974"
                           xFract="0.75470853"
                           y3="2.13365"
                           yFract="0.25280213"
                           z3="6.38545"
                           zFract="0.28737399"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80727"
                           xFract="0.80654858"
                           y3="4.08666"
                           yFract="0.48420142"
                           z3="8.70682"
                           zFract="0.39184608"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.12874"
                           xFract="0.4891872"
                           y3="2.39396"
                           yFract="0.28364455"
                           z3="8.49958"
                           zFract="0.38251935"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43428"
                           xFract="0.99932227"
                           y3="6.31273"
                           yFract="0.74795379"
                           z3="4.2537"
                           zFract="0.19143564"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.3959"
                           xFract="0.99477488"
                           y3="4.15994"
                           yFract="0.49288389"
                           z3="6.49069"
                           zFract="0.29211026"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2186"
                           xFract="0.49983412"
                           y3="2.11649"
                           yFract="0.25076896"
                           z3="4.24924"
                           zFract="0.19123492"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03739"
                           xFract="0.24139692"
                           y3="2.0610"
                           yFract="0.24419431"
                           z3="6.4525"
                           zFract="0.29039154"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36866"
                           xFract="0.75458057"
                           y3="4.20763"
                           yFract="0.49853436"
                           z3="4.24354"
                           zFract="0.1909784"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6362"
                           xFract="0.5493128"
                           y3="6.26726"
                           yFract="0.74256635"
                           z3="8.58896"
                           zFract="0.38654185"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28295"
                           xFract="0.50745853"
                           y3="4.21791"
                           yFract="0.49975237"
                           z3="6.46819"
                           zFract="0.29109766"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36522"
                           xFract="0.28023934"
                           y3="-0.1325"
                           yFract="-0.01569905"
                           z3="8.49239"
                           zFract="0.38219577"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28009"
                           xFract="0.74408649"
                           y3="0.62084"
                           yFract="0.07355924"
                           z3="8.54465"
                           zFract="0.3845477"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27377"
                           xFract="0.9803045"
                           y3="2.03065"
                           yFract="0.24059834"
                           z3="6.23197"
                           zFract="0.2804667"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20858"
                           xFract="0.26168009"
                           y3="8.41611"
                           yFract="0.99716943"
                           z3="6.31136"
                           zFract="0.2840396"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01789"
                           xFract="0.00211967"
                           y3="0.01259"
                           yFract="0.00149171"
                           z3="4.25604"
                           zFract="0.19154095"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29181"
                           xFract="0.98244194"
                           y3="0.18287"
                           yFract="0.02166706"
                           z3="8.37566"
                           zFract="0.37694239"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13376"
                           xFract="0.25281517"
                           y3="2.11743"
                           yFract="0.25088033"
                           z3="4.32077"
                           zFract="0.1944541"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16267"
                           xFract="0.25624052"
                           y3="1.79823"
                           yFract="0.21306043"
                           z3="8.50978"
                           zFract="0.3829784"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43822"
                           xFract="0.52585545"
                           y3="2.10801"
                           yFract="0.24976422"
                           z3="6.3755"
                           zFract="0.28692619"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34567"
                           xFract="0.75185664"
                           y3="8.3298"
                           yFract="0.98694313"
                           z3="6.27666"
                           zFract="0.28247795"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22145"
                           xFract="0.5001718"
                           y3="8.31456"
                           yFract="0.98513744"
                           z3="4.20143"
                           zFract="0.18908326"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48119"
                           xFract="0.53094668"
                           y3="-0.2119"
                           yFract="-0.02510664"
                           z3="8.4937"
                           zFract="0.38225473"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28884"
                           xFract="0.74512322"
                           y3="2.07011"
                           yFract="0.2452737"
                           z3="4.04887"
                           zFract="0.18221737"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.02063"
                           xFract="0.8318282"
                           y3="2.31359"
                           yFract="0.27412204"
                           z3="9.3045"
                           zFract="0.41874437"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41195"
                           xFract="0.99667654"
                           y3="6.52028"
                           yFract="0.77254502"
                           z3="6.34941"
                           zFract="0.28575203"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.93993"
                           xFract="0.22984953"
                           y3="4.23043"
                           yFract="0.50123578"
                           z3="6.5103"
                           zFract="0.2929928"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03369"
                           xFract="0.00399171"
                           y3="4.19359"
                           yFract="0.49687085"
                           z3="4.12795"
                           zFract="0.18577633"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94704"
                           xFract="0.11220853"
                           y3="3.51964"
                           yFract="0.41701896"
                           z3="9.92891"
                           zFract="0.44684563"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21072"
                           xFract="0.26193365"
                           y3="6.31383"
                           yFract="0.74808412"
                           z3="4.29038"
                           zFract="0.19308641"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88769"
                           xFract="0.22365995"
                           y3="6.43027"
                           yFract="0.76188033"
                           z3="8.4879"
                           zFract="0.3819937"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25265"
                           xFract="0.50386848"
                           y3="6.32605"
                           yFract="0.74953199"
                           z3="6.21354"
                           zFract="0.27963726"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42267"
                           xFract="0.76097986"
                           y3="4.30737"
                           yFract="0.5103519"
                           z3="6.27638"
                           zFract="0.28246535"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18396"
                           xFract="0.49572986"
                           y3="4.35218"
                           yFract="0.51566114"
                           z3="4.29119"
                           zFract="0.19312286"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.06969"
                           xFract="0.48219076"
                           y3="4.40249"
                           yFract="0.52162204"
                           z3="8.54917"
                           zFract="0.38475113"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19054"
                           xFract="0.7334763"
                           y3="6.36456"
                           yFract="0.75409479"
                           z3="4.20123"
                           zFract="0.18907426"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59748"
                           xFract="0.78169194"
                           y3="5.98011"
                           yFract="0.70854384"
                           z3="8.43145"
                           zFract="0.3794532"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.270">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19299"
                           xFract="0.02286611"
                           y3="3.90956"
                           yFract="0.46321801"
                           z3="10.4095"
                           zFract="0.46847435"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05736"
                           xFract="-0.00679621"
                           y3="6.53267"
                           yFract="0.77401303"
                           z3="8.4327"
                           zFract="0.37950945"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34984"
                           xFract="0.75235071"
                           y3="0.01019"
                           yFract="0.00120735"
                           z3="4.2421"
                           zFract="0.19091359"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.37348"
                           xFract="0.04425118"
                           y3="1.92128"
                           yFract="0.22763981"
                           z3="9.07451"
                           zFract="0.40839379"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36961"
                           xFract="0.75469313"
                           y3="6.31005"
                           yFract="0.74763626"
                           z3="6.34071"
                           zFract="0.28536049"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20917"
                           xFract="0.49871682"
                           y3="6.32901"
                           yFract="0.7498827"
                           z3="4.22126"
                           zFract="0.1899757"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41225"
                           xFract="0.99671209"
                           y3="0.08256"
                           yFract="0.00978199"
                           z3="6.37536"
                           zFract="0.28691989"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42511"
                           xFract="0.99823578"
                           y3="2.10887"
                           yFract="0.24986611"
                           z3="4.20563"
                           zFract="0.18927228"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09486"
                           xFract="0.24820616"
                           y3="4.41316"
                           yFract="0.52288626"
                           z3="8.59793"
                           zFract="0.38694554"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09124"
                           xFract="0.24777725"
                           y3="4.20113"
                           yFract="0.49776422"
                           z3="4.28665"
                           zFract="0.19291854"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07174"
                           xFract="0.24546682"
                           y3="6.34569"
                           yFract="0.751859"
                           z3="6.38204"
                           zFract="0.28722052"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11069"
                           xFract="0.25008175"
                           y3="0.00664"
                           yFract="0.00078673"
                           z3="4.24051"
                           zFract="0.19084203"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29627"
                           xFract="0.50903673"
                           y3="-0.00233"
                           yFract="-0.00027607"
                           z3="6.33367"
                           zFract="0.28504365"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3698"
                           xFract="0.75471564"
                           y3="2.13366"
                           yFract="0.25280332"
                           z3="6.38726"
                           zFract="0.28745545"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.80585"
                           xFract="0.80638033"
                           y3="4.08841"
                           yFract="0.48440877"
                           z3="8.71061"
                           zFract="0.39201665"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13282"
                           xFract="0.48967062"
                           y3="2.39123"
                           yFract="0.28332109"
                           z3="8.4996"
                           zFract="0.38252025"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43509"
                           xFract="0.99941825"
                           y3="6.31313"
                           yFract="0.74800118"
                           z3="4.25483"
                           zFract="0.1914865"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39529"
                           xFract="0.99470261"
                           y3="4.1592"
                           yFract="0.49279621"
                           z3="6.49221"
                           zFract="0.29217867"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21863"
                           xFract="0.49983768"
                           y3="2.11624"
                           yFract="0.25073934"
                           z3="4.24851"
                           zFract="0.19120207"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03853"
                           xFract="0.24153199"
                           y3="2.06047"
                           yFract="0.24413152"
                           z3="6.4535"
                           zFract="0.29043654"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36887"
                           xFract="0.75460545"
                           y3="4.2072"
                           yFract="0.49848341"
                           z3="4.24402"
                           zFract="0.1910"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.63588"
                           xFract="0.54927488"
                           y3="6.26879"
                           yFract="0.74274763"
                           z3="8.58805"
                           zFract="0.3865009"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28451"
                           xFract="0.50764336"
                           y3="4.21737"
                           yFract="0.49968839"
                           z3="6.46812"
                           zFract="0.29109451"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.3647"
                           xFract="0.28017773"
                           y3="-0.13332"
                           yFract="-0.01579621"
                           z3="8.49209"
                           zFract="0.38218227"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28058"
                           xFract="0.74414455"
                           y3="0.62139"
                           yFract="0.07362441"
                           z3="8.54596"
                           zFract="0.38460666"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27489"
                           xFract="0.9804372"
                           y3="2.03127"
                           yFract="0.2406718"
                           z3="6.23242"
                           zFract="0.28048695"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20746"
                           xFract="0.26154739"
                           y3="8.41506"
                           yFract="0.99704502"
                           z3="6.3121"
                           zFract="0.28407291"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0176"
                           xFract="0.00208531"
                           y3="0.01203"
                           yFract="0.00142536"
                           z3="4.25601"
                           zFract="0.1915396"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29116"
                           xFract="0.98236493"
                           y3="0.18236"
                           yFract="0.02160664"
                           z3="8.37781"
                           zFract="0.37703915"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13416"
                           xFract="0.25286256"
                           y3="2.1163"
                           yFract="0.25074645"
                           z3="4.32137"
                           zFract="0.1944811"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16273"
                           xFract="0.25624763"
                           y3="1.79773"
                           yFract="0.21300118"
                           z3="8.51052"
                           zFract="0.3830117"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43734"
                           xFract="0.52575118"
                           y3="2.10747"
                           yFract="0.24970024"
                           z3="6.37446"
                           zFract="0.28687939"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34596"
                           xFract="0.751891"
                           y3="8.32932"
                           yFract="0.98688626"
                           z3="6.27622"
                           zFract="0.28245815"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22148"
                           xFract="0.50017536"
                           y3="8.31447"
                           yFract="0.98512678"
                           z3="4.20239"
                           zFract="0.18912646"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48161"
                           xFract="0.53099645"
                           y3="-0.20959"
                           yFract="-0.02483294"
                           z3="8.49509"
                           zFract="0.38231728"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28823"
                           xFract="0.74505095"
                           y3="2.07032"
                           yFract="0.24529858"
                           z3="4.04955"
                           zFract="0.18224797"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.02106"
                           xFract="0.83187915"
                           y3="2.3146"
                           yFract="0.27424171"
                           z3="9.30526"
                           zFract="0.41877858"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41178"
                           xFract="0.9966564"
                           y3="6.51901"
                           yFract="0.77239455"
                           z3="6.35091"
                           zFract="0.28581953"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94008"
                           xFract="0.2298673"
                           y3="4.23011"
                           yFract="0.50119787"
                           z3="6.50923"
                           zFract="0.29294464"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03347"
                           xFract="0.00396564"
                           y3="4.19369"
                           yFract="0.4968827"
                           z3="4.12796"
                           zFract="0.18577678"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94539"
                           xFract="0.11201303"
                           y3="3.52266"
                           yFract="0.41737678"
                           z3="9.92656"
                           zFract="0.44673987"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21096"
                           xFract="0.26196209"
                           y3="6.31349"
                           yFract="0.74804384"
                           z3="4.29056"
                           zFract="0.19309451"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.88945"
                           xFract="0.22386848"
                           y3="6.4288"
                           yFract="0.76170616"
                           z3="8.48777"
                           zFract="0.38198785"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2533"
                           xFract="0.5039455"
                           y3="6.32621"
                           yFract="0.74955095"
                           z3="6.21439"
                           zFract="0.27967552"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42172"
                           xFract="0.7608673"
                           y3="4.30654"
                           yFract="0.51025355"
                           z3="6.27732"
                           zFract="0.28250765"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18417"
                           xFract="0.49575474"
                           y3="4.35226"
                           yFract="0.51567062"
                           z3="4.29106"
                           zFract="0.19311701"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.07215"
                           xFract="0.48248223"
                           y3="4.40054"
                           yFract="0.521391"
                           z3="8.54856"
                           zFract="0.38472367"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19084"
                           xFract="0.73351185"
                           y3="6.36412"
                           yFract="0.75404265"
                           z3="4.20153"
                           zFract="0.18908776"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59754"
                           xFract="0.78169905"
                           y3="5.98114"
                           yFract="0.70866588"
                           z3="8.43308"
                           zFract="0.37952655"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.271">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="0.19284"
                           xFract="0.02284834"
                           y3="3.91011"
                           yFract="0.46328318"
                           z3="10.40888"
                           zFract="0.46844644"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="-0.05722"
                           xFract="-0.00677962"
                           y3="6.53259"
                           yFract="0.77400355"
                           z3="8.43288"
                           zFract="0.37951755"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34962"
                           xFract="0.75232464"
                           y3="0.01015"
                           yFract="0.00120261"
                           z3="4.24224"
                           zFract="0.19091989"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.37329"
                           xFract="0.04422867"
                           y3="1.92136"
                           yFract="0.22764929"
                           z3="9.07453"
                           zFract="0.40839469"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.36968"
                           xFract="0.75470142"
                           y3="6.31012"
                           yFract="0.74764455"
                           z3="6.34085"
                           zFract="0.28536679"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.20922"
                           xFract="0.49872275"
                           y3="6.32915"
                           yFract="0.74989929"
                           z3="4.22116"
                           zFract="0.1899712"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41219"
                           xFract="0.99670498"
                           y3="0.08251"
                           yFract="0.00977607"
                           z3="6.37533"
                           zFract="0.28691854"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="8.42508"
                           xFract="0.99823223"
                           y3="2.10891"
                           yFract="0.24987085"
                           z3="4.20582"
                           zFract="0.18928083"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09536"
                           xFract="0.2482654"
                           y3="4.41305"
                           yFract="0.52287322"
                           z3="8.59755"
                           zFract="0.38692844"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.09114"
                           xFract="0.2477654"
                           y3="4.20109"
                           yFract="0.49775948"
                           z3="4.28673"
                           zFract="0.19292214"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.07172"
                           xFract="0.24546445"
                           y3="6.3455"
                           yFract="0.75183649"
                           z3="6.38192"
                           zFract="0.28721512"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11067"
                           xFract="0.25007938"
                           y3="0.00663"
                           yFract="0.00078555"
                           z3="4.24049"
                           zFract="0.19084113"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="4.29638"
                           xFract="0.50904976"
                           y3="-0.00222"
                           yFract="-0.00026303"
                           z3="6.33363"
                           zFract="0.28504185"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36986"
                           xFract="0.75472275"
                           y3="2.13368"
                           yFract="0.25280569"
                           z3="6.38729"
                           zFract="0.2874568"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.8057"
                           xFract="0.80636256"
                           y3="4.08852"
                           yFract="0.4844218"
                           z3="8.71079"
                           zFract="0.39202475"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.13325"
                           xFract="0.48972156"
                           y3="2.39067"
                           yFract="0.28325474"
                           z3="8.49957"
                           zFract="0.3825189"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="8.43512"
                           xFract="0.9994218"
                           y3="6.31303"
                           yFract="0.74798934"
                           z3="4.25489"
                           zFract="0.1914892"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="8.39529"
                           xFract="0.99470261"
                           y3="4.15907"
                           yFract="0.49278081"
                           z3="6.49226"
                           zFract="0.29218092"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21854"
                           xFract="0.49982701"
                           y3="2.11616"
                           yFract="0.25072986"
                           z3="4.24855"
                           zFract="0.19120387"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.03866"
                           xFract="0.24154739"
                           y3="2.06046"
                           yFract="0.24413033"
                           z3="6.45352"
                           zFract="0.29043744"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.36894"
                           xFract="0.75461374"
                           y3="4.20718"
                           yFract="0.49848104"
                           z3="4.24402"
                           zFract="0.1910"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.6360"
                           xFract="0.5492891"
                           y3="6.26869"
                           yFract="0.74273578"
                           z3="8.58789"
                           zFract="0.3864937"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.28462"
                           xFract="0.5076564"
                           y3="4.21721"
                           yFract="0.49966943"
                           z3="6.46819"
                           zFract="0.29109766"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.36457"
                           xFract="0.28016232"
                           y3="-0.13338"
                           yFract="-0.01580332"
                           z3="8.49216"
                           zFract="0.38218542"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.28075"
                           xFract="0.74416469"
                           y3="0.62135"
                           yFract="0.07361967"
                           z3="8.54597"
                           zFract="0.38460711"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="8.27495"
                           xFract="0.98044431"
                           y3="2.03133"
                           yFract="0.24067891"
                           z3="6.23246"
                           zFract="0.28048875"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.20732"
                           xFract="0.26153081"
                           y3="8.4150"
                           yFract="0.99703791"
                           z3="6.3122"
                           zFract="0.28407741"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01756"
                           xFract="0.00208057"
                           y3="0.01196"
                           yFract="0.00141706"
                           z3="4.25599"
                           zFract="0.1915387"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29127"
                           xFract="0.98237796"
                           y3="0.18236"
                           yFract="0.02160664"
                           z3="8.37825"
                           zFract="0.37705896"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13422"
                           xFract="0.25286967"
                           y3="2.11615"
                           yFract="0.25072867"
                           z3="4.32146"
                           zFract="0.19448515"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16299"
                           xFract="0.25627844"
                           y3="1.79792"
                           yFract="0.2130237"
                           z3="8.51064"
                           zFract="0.3830171"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.43737"
                           xFract="0.52575474"
                           y3="2.1073"
                           yFract="0.24968009"
                           z3="6.37431"
                           zFract="0.28687264"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3460"
                           xFract="0.75189573"
                           y3="8.32924"
                           yFract="0.98687678"
                           z3="6.27634"
                           zFract="0.28246355"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22145"
                           xFract="0.5001718"
                           y3="8.3144"
                           yFract="0.98511848"
                           z3="4.20243"
                           zFract="0.18912826"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.48149"
                           xFract="0.53098223"
                           y3="-0.20926"
                           yFract="-0.02479384"
                           z3="8.4952"
                           zFract="0.38232223"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28827"
                           xFract="0.74505569"
                           y3="2.07026"
                           yFract="0.24529147"
                           z3="4.04965"
                           zFract="0.18225248"/>
                     <atom elementType="O"
                           id="a61"
                           x3="7.02115"
                           xFract="0.83188981"
                           y3="2.31472"
                           yFract="0.27425592"
                           z3="9.30535"
                           zFract="0.41878263"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41171"
                           xFract="0.9966481"
                           y3="6.5188"
                           yFract="0.77236967"
                           z3="6.35121"
                           zFract="0.28583303"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="1.94006"
                           xFract="0.22986493"
                           y3="4.23029"
                           yFract="0.50121919"
                           z3="6.50906"
                           zFract="0.29293699"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.03344"
                           xFract="0.00396209"
                           y3="4.19366"
                           yFract="0.49687915"
                           z3="4.12802"
                           zFract="0.18577948"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.94519"
                           xFract="0.11198934"
                           y3="3.52326"
                           yFract="0.41744787"
                           z3="9.92611"
                           zFract="0.44671962"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21099"
                           xFract="0.26196564"
                           y3="6.31346"
                           yFract="0.74804028"
                           z3="4.29059"
                           zFract="0.19309586"/>
                     <atom elementType="O"
                           id="a71"
                           x3="1.8897"
                           xFract="0.2238981"
                           y3="6.42867"
                           yFract="0.76169076"
                           z3="8.48764"
                           zFract="0.381982"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.25338"
                           xFract="0.50395498"
                           y3="6.32626"
                           yFract="0.74955687"
                           z3="6.21476"
                           zFract="0.27969217"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42177"
                           xFract="0.76087322"
                           y3="4.30634"
                           yFract="0.51022986"
                           z3="6.27752"
                           zFract="0.28251665"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.18426"
                           xFract="0.4957654"
                           y3="4.35229"
                           yFract="0.51567417"
                           z3="4.29112"
                           zFract="0.19311971"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.07248"
                           xFract="0.48252133"
                           y3="4.40034"
                           yFract="0.5213673"
                           z3="8.54841"
                           zFract="0.38471692"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.19095"
                           xFract="0.73352488"
                           y3="6.36405"
                           yFract="0.75403436"
                           z3="4.20162"
                           zFract="0.18909181"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.59754"
                           xFract="0.78169905"
                           y3="5.98127"
                           yFract="0.70868128"
                           z3="8.4333"
                           zFract="0.37953645"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a59" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a81" order="S"/>
                     <bond atomRefs2="a7 a75" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a80" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a54" order="S"/>
                     <bond atomRefs2="a11 a56" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a62" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a24" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a56" order="S"/>
                     <bond atomRefs2="a18 a56" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a54" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a72" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a47" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a58" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a39" order="S"/>
                     <bond atomRefs2="a22 a43" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a53" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a23 a61" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a52" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a65" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a74" order="S"/>
                     <bond atomRefs2="a33 a60" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a34 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a78" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a62" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a41 a72" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a74" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a64" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="81">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="81">-0.000 0.023 0.012 0.001 0.002 0.003 -0.002 0.000 -0.001 0.002 0.013 0.000 0.001 -0.000 -0.000 0.001 0.002 0.001 0.002 0.001 0.002 -0.004 0.012 0.002 0.001 -0.001 -0.001 0.002 0.003 0.002 -0.000 0.006 0.006 -0.003 -0.002 0.000 -0.000 -0.000 -0.001 -0.001 -0.001 0.005 0.000 0.006 0.007 0.009 0.013 0.011 0.003 -0.000 0.003 -0.000 -0.002 0.019 0.011 0.005 0.006 0.000 0.012 0.005 0.001 0.004 0.009 0.002 0.001 0.004 0.002 0.000 0.002 0.000 0.001 0.000 0.004 0.011 0.000 0.005 0.001 0.001 0.010 0.009 0.006</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">0.000 0.015 0.015 -0.003 0.005 0.003 -0.004 0.000 -0.001 0.002 0.016 -0.001 0.002 0.000 0.000 0.003 0.003 0.002 0.003 0.002 0.003 0.004 0.001 -0.002 0.002 -0.000 -0.004 0.002 0.000 0.002 -0.002 0.006 0.009 0.001 0.000 -0.000 0.002 -0.001 -0.000 0.003 -0.001 0.045 -0.068 0.088 0.094 0.136 0.123 0.118 0.043 0.024 0.075 -0.080 -0.083 0.255 0.137 0.089 0.060 0.008 0.138 0.030 0.075 0.047 0.136 0.032 0.010 0.055 0.024 0.011 0.031 0.005 0.027 0.008 0.047 0.162 -0.033 0.081 0.001 0.002 0.117 0.108 0.126</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.174 1.487 1.051 1.511 0.371 1.144 1.509 0.092 1.063 1.504 -0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.001 0.001 -0.247 0.131 -0.050 0.029 0.139 0.106 0.051 -0.197 -0.361 0.293 0.005 0.014 0.006 0.005 0.002 0.007 -0.002 0.001 0.004 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="81">-0.000 1.212 1.514 1.049 1.517 0.377 1.138 1.509 0.090 1.067 1.533 -0.002 0.004 0.000 0.000 0.006 0.005 0.004 0.007 0.005 0.006 -0.247 0.145 -0.050 0.032 0.137 0.101 0.055 -0.194 -0.357 0.291 0.018 0.030 0.004 0.003 0.002 0.008 -0.003 -0.000 0.006 -0.001 0.050 -0.068 0.094 0.101 0.145 0.137 0.129 0.046 0.023 0.078 -0.080 -0.085 0.275 0.148 0.095 0.066 0.009 0.150 0.035 0.076 0.051 0.146 0.034 0.011 0.059 0.026 0.011 0.033 0.006 0.028 0.008 0.051 0.173 -0.032 0.086 0.002 0.003 0.128 0.118 0.132</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.273</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.397</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">10.848</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">13.517</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-427.95398087</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-427.94296251</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-427.94847169</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.3459</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1976345E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="0.19284"
                        xFract="0.02284834"
                        y3="3.91011"
                        yFract="0.46328318"
                        z3="10.40888"
                        zFract="0.46844644"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="-0.05722"
                        xFract="-0.00677962"
                        y3="6.53259"
                        yFract="0.77400355"
                        z3="8.43288"
                        zFract="0.37951755"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.34962"
                        xFract="0.75232464"
                        y3="0.01015"
                        yFract="0.00120261"
                        z3="4.24224"
                        zFract="0.19091989"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.37329"
                        xFract="0.04422867"
                        y3="1.92136"
                        yFract="0.22764929"
                        z3="9.07453"
                        zFract="0.40839469"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.36968"
                        xFract="0.75470142"
                        y3="6.31012"
                        yFract="0.74764455"
                        z3="6.34085"
                        zFract="0.28536679"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.20922"
                        xFract="0.49872275"
                        y3="6.32915"
                        yFract="0.74989929"
                        z3="4.22116"
                        zFract="0.1899712"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="8.41219"
                        xFract="0.99670498"
                        y3="0.08251"
                        yFract="0.00977607"
                        z3="6.37533"
                        zFract="0.28691854"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="8.42508"
                        xFract="0.99823223"
                        y3="2.10891"
                        yFract="0.24987085"
                        z3="4.20582"
                        zFract="0.18928083"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.09536"
                        xFract="0.2482654"
                        y3="4.41305"
                        yFract="0.52287322"
                        z3="8.59755"
                        zFract="0.38692844"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.09114"
                        xFract="0.2477654"
                        y3="4.20109"
                        yFract="0.49775948"
                        z3="4.28673"
                        zFract="0.19292214"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.07172"
                        xFract="0.24546445"
                        y3="6.3455"
                        yFract="0.75183649"
                        z3="6.38192"
                        zFract="0.28721512"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.11067"
                        xFract="0.25007938"
                        y3="0.00663"
                        yFract="0.00078555"
                        z3="4.24049"
                        zFract="0.19084113"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="4.29638"
                        xFract="0.50904976"
                        y3="-0.00222"
                        yFract="-0.00026303"
                        z3="6.33363"
                        zFract="0.28504185"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.36986"
                        xFract="0.75472275"
                        y3="2.13368"
                        yFract="0.25280569"
                        z3="6.38729"
                        zFract="0.2874568"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.8057"
                        xFract="0.80636256"
                        y3="4.08852"
                        yFract="0.4844218"
                        z3="8.71079"
                        zFract="0.39202475"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.13325"
                        xFract="0.48972156"
                        y3="2.39067"
                        yFract="0.28325474"
                        z3="8.49957"
                        zFract="0.3825189"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="8.43512"
                        xFract="0.9994218"
                        y3="6.31303"
                        yFract="0.74798934"
                        z3="4.25489"
                        zFract="0.1914892"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="8.39529"
                        xFract="0.99470261"
                        y3="4.15907"
                        yFract="0.49278081"
                        z3="6.49226"
                        zFract="0.29218092"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.21854"
                        xFract="0.49982701"
                        y3="2.11616"
                        yFract="0.25072986"
                        z3="4.24855"
                        zFract="0.19120387"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.03866"
                        xFract="0.24154739"
                        y3="2.06046"
                        yFract="0.24413033"
                        z3="6.45352"
                        zFract="0.29043744"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="6.36894"
                        xFract="0.75461374"
                        y3="4.20718"
                        yFract="0.49848104"
                        z3="4.24402"
                        zFract="0.1910"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.6360"
                        xFract="0.5492891"
                        y3="6.26869"
                        yFract="0.74273578"
                        z3="8.58789"
                        zFract="0.3864937"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="4.28462"
                        xFract="0.5076564"
                        y3="4.21721"
                        yFract="0.49966943"
                        z3="6.46819"
                        zFract="0.29109766"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.36457"
                        xFract="0.28016232"
                        y3="-0.13338"
                        yFract="-0.01580332"
                        z3="8.49216"
                        zFract="0.38218542"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.28075"
                        xFract="0.74416469"
                        y3="0.62135"
                        yFract="0.07361967"
                        z3="8.54597"
                        zFract="0.38460711"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a43"
                        x3="8.27495"
                        xFract="0.98044431"
                        y3="2.03133"
                        yFract="0.24067891"
                        z3="6.23246"
                        zFract="0.28048875"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.20732"
                        xFract="0.26153081"
                        y3="8.4150"
                        yFract="0.99703791"
                        z3="6.3122"
                        zFract="0.28407741"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.01756"
                        xFract="0.00208057"
                        y3="0.01196"
                        yFract="0.00141706"
                        z3="4.25599"
                        zFract="0.1915387"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.29127"
                        xFract="0.98237796"
                        y3="0.18236"
                        yFract="0.02160664"
                        z3="8.37825"
                        zFract="0.37705896"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.13422"
                        xFract="0.25286967"
                        y3="2.11615"
                        yFract="0.25072867"
                        z3="4.32146"
                        zFract="0.19448515"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.16299"
                        xFract="0.25627844"
                        y3="1.79792"
                        yFract="0.2130237"
                        z3="8.51064"
                        zFract="0.3830171"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.43737"
                        xFract="0.52575474"
                        y3="2.1073"
                        yFract="0.24968009"
                        z3="6.37431"
                        zFract="0.28687264"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.3460"
                        xFract="0.75189573"
                        y3="8.32924"
                        yFract="0.98687678"
                        z3="6.27634"
                        zFract="0.28246355"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.22145"
                        xFract="0.5001718"
                        y3="8.3144"
                        yFract="0.98511848"
                        z3="4.20243"
                        zFract="0.18912826"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.48149"
                        xFract="0.53098223"
                        y3="-0.20926"
                        yFract="-0.02479384"
                        z3="8.4952"
                        zFract="0.38232223"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.28827"
                        xFract="0.74505569"
                        y3="2.07026"
                        yFract="0.24529147"
                        z3="4.04965"
                        zFract="0.18225248"/>
                  <atom elementType="O"
                        id="a61"
                        x3="7.02115"
                        xFract="0.83188981"
                        y3="2.31472"
                        yFract="0.27425592"
                        z3="9.30535"
                        zFract="0.41878263"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a63"
                        x3="8.41171"
                        xFract="0.9966481"
                        y3="6.5188"
                        yFract="0.77236967"
                        z3="6.35121"
                        zFract="0.28583303"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a65"
                        x3="1.94006"
                        xFract="0.22986493"
                        y3="4.23029"
                        yFract="0.50121919"
                        z3="6.50906"
                        zFract="0.29293699"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.03344"
                        xFract="0.00396209"
                        y3="4.19366"
                        yFract="0.49687915"
                        z3="4.12802"
                        zFract="0.18577948"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.94519"
                        xFract="0.11198934"
                        y3="3.52326"
                        yFract="0.41744787"
                        z3="9.92611"
                        zFract="0.44671962"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.21099"
                        xFract="0.26196564"
                        y3="6.31346"
                        yFract="0.74804028"
                        z3="4.29059"
                        zFract="0.19309586"/>
                  <atom elementType="O"
                        id="a71"
                        x3="1.8897"
                        xFract="0.2238981"
                        y3="6.42867"
                        yFract="0.76169076"
                        z3="8.48764"
                        zFract="0.381982"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.25338"
                        xFract="0.50395498"
                        y3="6.32626"
                        yFract="0.74955687"
                        z3="6.21476"
                        zFract="0.27969217"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.42177"
                        xFract="0.76087322"
                        y3="4.30634"
                        yFract="0.51022986"
                        z3="6.27752"
                        zFract="0.28251665"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.18426"
                        xFract="0.4957654"
                        y3="4.35229"
                        yFract="0.51567417"
                        z3="4.29112"
                        zFract="0.19311971"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.07248"
                        xFract="0.48252133"
                        y3="4.40034"
                        yFract="0.5213673"
                        z3="8.54841"
                        zFract="0.38471692"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.19095"
                        xFract="0.73352488"
                        y3="6.36405"
                        yFract="0.75403436"
                        z3="4.20162"
                        zFract="0.18909181"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.59754"
                        xFract="0.78169905"
                        y3="5.98127"
                        yFract="0.70868128"
                        z3="8.4333"
                        zFract="0.37953645"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a68" order="S"/>
                  <bond atomRefs2="a2 a71" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a3 a59" order="S"/>
                  <bond atomRefs2="a4 a59" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a6 a68" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a7 a81" order="S"/>
                  <bond atomRefs2="a7 a75" order="S"/>
                  <bond atomRefs2="a7 a63" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a80" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a9 a77" order="S"/>
                  <bond atomRefs2="a9 a80" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a9 a73" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a11 a54" order="S"/>
                  <bond atomRefs2="a11 a56" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a33" order="S"/>
                  <bond atomRefs2="a13 a67" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a66" order="S"/>
                  <bond atomRefs2="a13 a62" order="S"/>
                  <bond atomRefs2="a13 a64" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a14 a78" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a24" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a64" order="S"/>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a65" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a17 a49" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a17 a56" order="S"/>
                  <bond atomRefs2="a18 a56" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a44" order="S"/>
                  <bond atomRefs2="a19 a80" order="S"/>
                  <bond atomRefs2="a19 a79" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a72" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a47" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a58" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a21 a39" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a53" order="S"/>
                  <bond atomRefs2="a22 a75" order="S"/>
                  <bond atomRefs2="a23 a61" order="S"/>
                  <bond atomRefs2="a23 a81" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a24 a78" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a38" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a26 a72" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a79" order="S"/>
                  <bond atomRefs2="a26 a69" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a49" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a30 a50" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a65" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a76" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a33 a80" order="S"/>
                  <bond atomRefs2="a33 a74" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a66" order="S"/>
                  <bond atomRefs2="a35 a62" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a69" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a36 a78" order="S"/>
                  <bond atomRefs2="a37 a69" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a62" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a37 a72" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a38 a78" order="S"/>
                  <bond atomRefs2="a38 a77" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a72" order="S"/>
                  <bond atomRefs2="a41 a76" order="S"/>
                  <bond atomRefs2="a41 a74" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a64" order="S"/>
                  <bond atomRefs2="a41 a77" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
